Chemical Components in the PDB

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UQV : Summary

Code

UQV

One-letter code

X

Molecule name

[2-(acetylamino)phenyl]acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [2-(acetylamino)phenyl]acetic acid
OpenEye OEToolkits 2.0.7 2-(2-acetamidophenyl)ethanoic acid

Formula

C10 H11 N O3

Formal charge

0

Molecular weight

193.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccc(CC(=O)O)c(NC(C)=O)c1
SMILES CACTVS 3.385 CC(=O)Nc1ccccc1CC(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccccc1CC(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccccc1CC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccccc1CC(=O)O

IUPAC InChI

InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

IUPAC InChI key

BOEMFEOUVXWWNZ-UHFFFAOYSA-N
UQV

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-27

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned