4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid, (3R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21N5O3
Molecular Weight	331.3696
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid, (3R,4R)-

Structure Search

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC(O)=O

InChI

InChIKey=NMGRKBVNLVHWSQ-PWSUYJOCSA-N

InChI=1S/C16H21N5O3/c1-10-4-6-21(13(22)7-14(23)24)8-12(10)20(2)16-11-3-5-17-15(11)18-9-19-16/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,23,24)(H,17,18,19)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H21N5O3
Molecular Weight	331.3696
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:31:19 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:19 GMT 2025`
Record UNII	2HK2XY59GU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid

Preferred Name

English

4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanoic acid, (3R,4R)-

Systematic Name

English

1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-, (3R,4R)-

Systematic Name

English

3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810737

Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025

PRIMARY

CAS

2328165-36-0

Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025

PRIMARY

FDA UNII

2HK2XY59GU

Created by admin on Wed Apr 02 20:31:19 GMT 2025 , Edited by admin on Wed Apr 02 20:31:19 GMT 2025

PRIMARY