U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4O3
Molecular Weight 342.3923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-[3-amino-4-(methylamino)-N-(pyridin-2-yl)benzoylamino]propanoate

SMILES

CCOC(=O)CCN(C(=O)C1=CC(N)=C(NC)C=C1)C2=CC=CC=N2

InChI

InChIKey=PCPATNZTKBOKOY-UHFFFAOYSA-N
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H22N4O3
Molecular Weight 342.3923
Charge 0
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 Sat Dec 16 19:46:12 GMT 2023
Edited
by admin
on Sat Dec 16 19:46:12 GMT 2023
Record UNII
SAD4CR2WM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-[3-amino-4-(methylamino)-N-(pyridin-2-yl)benzoylamino]propanoate
Systematic Name English
N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-β-alanine ethyl ester
Common Name English
3-[(3-Amino-4-methylamino-benzoyl)-pyridin-2-yl-amino]-propionic acid ethyl ester
Common Name English
Ethyl 3-[[3-amino-4-(methylamino)benzoyl](pyridin-2-yl)amino]propionate
Common Name English
β-Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester
Common Name English
Code System Code Type Description
FDA UNII
SAD4CR2WM6
Created by admin on Sat Dec 16 19:46:12 GMT 2023 , Edited by admin on Sat Dec 16 19:46:12 GMT 2023
PRIMARY
PUBCHEM
11982993
Created by admin on Sat Dec 16 19:46:12 GMT 2023 , Edited by admin on Sat Dec 16 19:46:12 GMT 2023
PRIMARY
CAS
212322-56-0
Created by admin on Sat Dec 16 19:46:12 GMT 2023 , Edited by admin on Sat Dec 16 19:46:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID70475140
Created by admin on Sat Dec 16 19:46:12 GMT 2023 , Edited by admin on Sat Dec 16 19:46:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY