2-[(4-aminobenzoyl)amino]acetic acid

C9H10N2O3 — CID 2148

💊View drug profile → aminohippuric acid
IUPAC2-[(4-aminobenzoyl)amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKeyHSMNQINEKMPTIC-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.08
Rot. Bonds3

About 2-[(4-aminobenzoyl)amino]acetic acid

2-[(4-aminobenzoyl)amino]acetic acid (PubChem CID 2148) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]acetic acid
PubChem CID2148
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-[(4-aminobenzoyl)amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKeyHSMNQINEKMPTIC-UHFFFAOYSA-N
XLogP0.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.08
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

Hippuric Acid
CID 464
Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
N-Acetylprocainamide
CID 4342
Acecainide Hydrochloride
CID 71417
4-amino-N,N-diethylbenzamide
CID 458760
4-Nitrohippuric acid
CID 17549
4-amino-N-benzylbenzamide
CID 577832
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
Sodium p-aminohippurate
CID 443971
N-(4-Aminobenzoyl)-L-glutamic acid
CID 196473
LY 188544
CID 126157

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminobenzoyl)amino]acetic acid (CID 2148) is 2-[(4-aminobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]acetic acid is Nc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]acetic acid?
The InChIKey is HSMNQINEKMPTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(4-aminobenzoyl)amino]acetic acid?
2-[(4-aminobenzoyl)amino]acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)amino]acetic acid is sourced from PubChem (CID 2148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).