(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid

C15H14N2O3 — CID 5307679

IUPAC(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyKSZPRUJKMRILRZ-ZDUSSCGKSA-N
MW270.29 g/mol
LogP1.51
Rot. Bonds5

About (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid

(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid (PubChem CID 5307679) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
PubChem CID5307679
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyKSZPRUJKMRILRZ-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid (CID 5307679) is (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1.
What is the InChIKey of (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid?
The InChIKey is KSZPRUJKMRILRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid?
(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic 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 (2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 5307679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).