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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2O6
Molecular Weight 310.3025
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[[2-(4-Hydroxy-3-nitrophenyl)acetyl]amino]hexanoic acid

SMILES

OC(=O)CCCCCNC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O

InChI

InChIKey=XAYGJFACOIKJCT-UHFFFAOYSA-N
InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C14H18N2O6
Molecular Weight 310.3025
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 Wed Apr 02 06:42:32 GMT 2025
Edited
by admin
on Wed Apr 02 06:42:32 GMT 2025
Record UNII
2RNW7LJ6ZS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Hydroxy-3-nitrophenacetyl-?-amino-n-caproic acid
Preferred Name English
6-[[2-(4-Hydroxy-3-nitrophenyl)acetyl]amino]hexanoic acid
Systematic Name English
6-(2-(3-Nitro-4-oxidanyl-phenyl)ethanoylamino)hexanoic acid
Systematic Name English
Hexanoic acid, 6-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]-
Systematic Name English
Code System Code Type Description
CAS
10463-23-7
Created by admin on Wed Apr 02 06:42:32 GMT 2025 , Edited by admin on Wed Apr 02 06:42:32 GMT 2025
PRIMARY
PUBCHEM
444167
Created by admin on Wed Apr 02 06:42:32 GMT 2025 , Edited by admin on Wed Apr 02 06:42:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID70332143
Created by admin on Wed Apr 02 06:42:32 GMT 2025 , Edited by admin on Wed Apr 02 06:42:32 GMT 2025
PRIMARY
FDA UNII
2RNW7LJ6ZS
Created by admin on Wed Apr 02 06:42:32 GMT 2025 , Edited by admin on Wed Apr 02 06:42:32 GMT 2025
PRIMARY