2-benzamido-3-pyridin-4-ylpropanoic acid

C15H14N2O3 — CID 19602413

IUPAC2-benzamido-3-pyridin-4-ylpropanoic acid
SMILESO=C(NC(Cc1ccncc1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-13(15(19)20)10-11-6-8-16-9-7-11/h1-9,13H,10H2,(H,17,18)(H,19,20)
InChIKeyGIBPUJKTCDTLHT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.51
Rot. Bonds5

About 2-benzamido-3-pyridin-4-ylpropanoic acid

2-benzamido-3-pyridin-4-ylpropanoic acid (PubChem CID 19602413) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-benzamido-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-benzamido-3-pyridin-4-ylpropanoic acid
PubChem CID19602413
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-benzamido-3-pyridin-4-ylpropanoic acid
SMILESO=C(NC(Cc1ccncc1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-13(15(19)20)10-11-6-8-16-9-7-11/h1-9,13H,10H2,(H,17,18)(H,19,20)
InChIKeyGIBPUJKTCDTLHT-UHFFFAOYSA-N
XLogP1.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
2-benzamido-3-[4-(dimethylamino)phenyl]propanoic acid
CID 54792366
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
(2R)-2-[[4-[(E)-2-[4-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]phenyl]ethenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 91827493
(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
CID 91872585
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-benzamido-3-pyridin-4-ylpropanoic acid (CID 19602413) is 2-benzamido-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-benzamido-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-benzamido-3-pyridin-4-ylpropanoic acid is O=C(NC(Cc1ccncc1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-pyridin-4-ylpropanoic acid?
The InChIKey is GIBPUJKTCDTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-4-2-1-3-5-12)17-13(15(19)20)10-11-6-8-16-9-7-11/h1-9,13H,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-benzamido-3-pyridin-4-ylpropanoic acid?
2-benzamido-3-pyridin-4-ylpropanoic acid has a molecular weight of 270.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 19602413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).