2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid

C9H8ClNO4 — CID 15858288

IUPAC2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14)
InChIKeyZBGXEYAJLYHQGL-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.86
Rot. Bonds3

About 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid

2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid (PubChem CID 15858288) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
PubChem CID15858288
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H8ClNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14)
InChIKeyZBGXEYAJLYHQGL-UHFFFAOYSA-N
XLogP0.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid (CID 15858288) is 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid?
The InChIKey is ZBGXEYAJLYHQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-5-1-2-7(12)6(3-5)9(15)11-4-8(13)14/h1-3,12H,4H2,(H,11,15)(H,13,14).
What are the key properties of 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid?
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid has a molecular weight of 229.62 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid is sourced from PubChem (CID 15858288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).