N-Octanoylalanine sodium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H20NO3.Na
Molecular Weight	237.2712
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCCCCCC(=O)N[C@@H](C)C([O-])=O

InChI

InChIKey=XDCPAKUQUMPYJL-FVGYRXGTSA-M

InChI=1S/C11H21NO3.Na/c1-3-4-5-6-7-8-10(13)12-9(2)11(14)15;/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15);/q;+1/p-1/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C11H20NO3
Molecular Weight	214.2814
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:14:13 GMT 2025` Edited by `admin` on `Wed Apr 02 21:14:13 GMT 2025`
Record UNII	B4LN27L4WH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sodium 2-caprylamidopropionate

Preferred Name

English

N-Octanoylalanine sodium

Systematic Name

English

N-Octanoyl-L-alanine sodium salt

Systematic Name

English

N-(1-Oxooctyl)-L-alanine sodium

Systematic Name

English

L-Alanine, N-(1-oxooctyl)-, sodium salt (1:1)

Systematic Name

English

Alanine, N-octanoyl-, monosodium salt, L-

Systematic Name

English

(2S)-2-Octanamidopropanoic acid sodium

Systematic Name

English

Code System Code Type Description

PUBCHEM

140883944

Created by admin on Wed Apr 02 21:14:13 GMT 2025 , Edited by admin on Wed Apr 02 21:14:13 GMT 2025

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CAS

29391-67-1

Created by admin on Wed Apr 02 21:14:13 GMT 2025 , Edited by admin on Wed Apr 02 21:14:13 GMT 2025

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FDA UNII

B4LN27L4WH

Created by admin on Wed Apr 02 21:14:13 GMT 2025 , Edited by admin on Wed Apr 02 21:14:13 GMT 2025

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