2-[(5-amino-2-chlorobenzoyl)amino]acetic acid

C9H9ClN2O3 — CID 50851078

IUPAC2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
SMILESNc1ccc(Cl)c(C(=O)NCC(=O)O)c1
InChIInChI=1S/C9H9ClN2O3/c10-7-2-1-5(11)3-6(7)9(15)12-4-8(13)14/h1-3H,4,11H2,(H,12,15)(H,13,14)
InChIKeyULRBEYSDWOQPBO-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.74
Rot. Bonds3

About 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid

2-[(5-amino-2-chlorobenzoyl)amino]acetic acid (PubChem CID 50851078) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
PubChem CID50851078
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
SMILESNc1ccc(Cl)c(C(=O)NCC(=O)O)c1
InChIInChI=1S/C9H9ClN2O3/c10-7-2-1-5(11)3-6(7)9(15)12-4-8(13)14/h1-3H,4,11H2,(H,12,15)(H,13,14)
InChIKeyULRBEYSDWOQPBO-UHFFFAOYSA-N
XLogP0.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
CID 175576668
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
2-[(5-amino-2-chloro-4-fluorobenzoyl)amino]acetic acid
CID 86713109
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
2-[(2,5-dichloro-4-sulfanylbenzoyl)amino]acetic acid
CID 59888525
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid (CID 50851078) is 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid is Nc1ccc(Cl)c(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid?
The InChIKey is ULRBEYSDWOQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-7-2-1-5(11)3-6(7)9(15)12-4-8(13)14/h1-3H,4,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid?
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid has a molecular weight of 228.63 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorobenzoyl)amino]acetic acid is sourced from PubChem (CID 50851078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).