4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid

C11H13ClN2O3 — CID 63110659

IUPAC4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
SMILESNc1cc(Cl)ccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H13ClN2O3/c12-7-3-4-8(9(13)6-7)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5,13H2,(H,14,17)(H,15,16)
InChIKeyOXRZOJOJPCJXGK-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.52
Rot. Bonds5

About 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid

4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid (PubChem CID 63110659) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
PubChem CID63110659
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
SMILESNc1cc(Cl)ccc1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H13ClN2O3/c12-7-3-4-8(9(13)6-7)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5,13H2,(H,14,17)(H,15,16)
InChIKeyOXRZOJOJPCJXGK-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
4-[(4-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 120684450
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62636223
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid (CID 63110659) is 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid is Nc1cc(Cl)ccc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid?
The InChIKey is OXRZOJOJPCJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-7-3-4-8(9(13)6-7)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid?
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid is sourced from PubChem (CID 63110659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).