4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid

C16H16N2O3 — CID 22161473

IUPAC4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c17-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(7-9-13)16(20)21/h1-9,14H,10,17H2,(H,18,19)(H,20,21)
InChIKeyYPFWTDSNGMEULC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.89
Rot. Bonds5

About 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid

4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid (PubChem CID 22161473) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
PubChem CID22161473
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
SMILESNC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c17-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(7-9-13)16(20)21/h1-9,14H,10,17H2,(H,18,19)(H,20,21)
InChIKeyYPFWTDSNGMEULC-UHFFFAOYSA-N
XLogP1.89
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
tert-butyl 4-[(2-amino-3-phenylpropanoyl)amino]benzenecarboperoxoate
CID 174598628
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoic acid
CID 155708158

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid?
The IUPAC name of 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid (CID 22161473) is 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid is NC(Cc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid?
The InChIKey is YPFWTDSNGMEULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-14(10-11-4-2-1-3-5-11)15(19)18-13-8-6-12(7-9-13)16(20)21/h1-9,14H,10,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid?
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid is sourced from PubChem (CID 22161473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).