2-METHYLBUTYRIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H10O2
Molecular Weight	102.1317
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCC(C)C(O)=O

InChI

InChIKey=WLAMNBDJUVNPJU-UHFFFAOYSA-N

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula	C5H10O2
Molecular Weight	102.1317
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Show entries

Title	Date	PubMed
Simultaneous determination of C2-C22 non-esterified fatty acids and other metabolically relevant carboxylic acids in biological material by gas chromatography of their benzyl esters.	1988 Mar 18	3372640
Radiolabeled cholinesterase substrates: in vitro methods for determining structure-activity relationships and identification of a positron emission tomography radiopharmaceutical for in vivo measurement of butyrylcholinesterase activity.	2001 Feb	11176278
Reversal of LRP-associated drug resistance in colon carcinoma SW-620 cells.	2001 Jan 1	11149411
Organization of biosynthetic gene cluster for avermectin in Streptomyces avermitilis: analysis of enzymatic domains in four polyketide synthases.	2001 Sep	11780788
Methanobrevibacter acididurans sp. nov., a novel methanogen from a sour anaerobic digester.	2002 Jul	12148611

Showing 1 to 5 of 35 entries

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Patents

Substance Class	Chemical
Record UNII	PX7ZNN5GXK
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

2-METHYLBUTYRIC ACID

Systematic Name

English

NSC-7304

Code

English

METHYLETHYLACETIC ACID

Systematic Name

English

FEMA NO. 2695

Code

English

(±)-2-METHYLBUTYRIC ACID

Systematic Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

2-METHYLBUTYRIC ACID

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

Showing 1 to 2 of 2 entries

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Show entries

Code System

Code

Type

Description

RXCUI

2281310

PRIMARY

NSC

7304

PRIMARY

DAILYMED

PX7ZNN5GXK

PRIMARY

EPA CompTox

DTXSID5021621

PRIMARY

EVMPD

SUB121008

PRIMARY

Showing 1 to 5 of 15 entries

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