2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid

C11H14N2O4 — CID 23364988

IUPAC2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(14)9(11(16)17)13-10(15)7-2-4-8(12)5-3-7/h2-6,9,14H,12H2,1H3,(H,13,15)(H,16,17)
InChIKeyYHQMWOVRRGNZFA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.17
Rot. Bonds4

About 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid

2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid (PubChem CID 23364988) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
PubChem CID23364988
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(14)9(11(16)17)13-10(15)7-2-4-8(12)5-3-7/h2-6,9,14H,12H2,1H3,(H,13,15)(H,16,17)
InChIKeyYHQMWOVRRGNZFA-UHFFFAOYSA-N
XLogP-0.17
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-[[4-[4-(4-aminophenyl)buta-1,3-diynyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 87084915
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
3-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 24707245
(2R,3S)-3-hydroxy-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 36690277
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
methyl (2R,3R)-2-[[4-[2-(4-aminophenyl)ethynyl]benzoyl]amino]-3-hydroxybutanoate
CID 130347727
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
3-hydroxy-2-[[4-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 43091833
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid (CID 23364988) is 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is YHQMWOVRRGNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(14)9(11(16)17)13-10(15)7-2-4-8(12)5-3-7/h2-6,9,14H,12H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid?
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 23364988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).