2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid

C15H15N3O3 — CID 62487672

IUPAC2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1cccnc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-15(13(19)20,11-6-3-2-4-7-11)18-14(21)17-12-8-5-9-16-10-12/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQNFHVZMFPQOQTD-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.20
Rot. Bonds4

About 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid

2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid (PubChem CID 62487672) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
PubChem CID62487672
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1cccnc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-15(13(19)20,11-6-3-2-4-7-11)18-14(21)17-12-8-5-9-16-10-12/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQNFHVZMFPQOQTD-UHFFFAOYSA-N
XLogP2.20
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
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2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
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(2R)-2-acetamido-2-phenylpropanoic acid
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1-(4-methylphenyl)-3-pyridin-3-ylurea
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid (CID 62487672) is 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid is CC(NC(=O)Nc1cccnc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid?
The InChIKey is QNFHVZMFPQOQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-15(13(19)20,11-6-3-2-4-7-11)18-14(21)17-12-8-5-9-16-10-12/h2-10H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid?
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62487672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).