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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16NO4.K
Molecular Weight 301.3794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM L-(1-ETHOXYCARBONYLPROPEN-2-YL)-.ALPHA.-AMINOPHENYLACETATE

SMILES

[K+].CCOC(=O)\C=C(\C)N[C@H](C([O-])=O)C1=CC=CC=C1

InChI

InChIKey=QMWWAEFYIXXXQW-WCXPBQLDSA-M
InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9-;/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C14H16NO4
Molecular Weight 262.2811
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:45 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:45 GMT 2025
Record UNII
2P9478FAZ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEACETIC ACID, .ALPHA.-((3-ETHOXY-1-METHYL-3-OXO-1-PROPEN-1-YL)AMINO)-, POTASSIUM SALT (1:1), (.ALPHA.S)-
Preferred Name English
POTASSIUM L-(1-ETHOXYCARBONYLPROPEN-2-YL)-.ALPHA.-AMINOPHENYLACETATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-((3-ETHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO)-, MONOPOTASSIUM SALT, (S)-
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-((3-ETHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO)-, MONOPOTASSIUM SALT, (.ALPHA.S)-
Systematic Name English
CROTONIC ACID, 3-((.ALPHA.-CARBOXYBENZYL)AMINO)-, 1-ETHYL ESTER, MONOPOTASSIUM SALT, L-
Common Name English
Code System Code Type Description
CAS
20421-26-5
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY
PUBCHEM
71587037
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY
FDA UNII
2P9478FAZ7
Created by admin on Mon Mar 31 23:29:45 GMT 2025 , Edited by admin on Mon Mar 31 23:29:45 GMT 2025
PRIMARY