(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid

C15H14N2O3 — CID 851940

IUPAC(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(17-12-7-4-8-16-10-12)9-13(15(19)20)11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyZOSYKSCQVRFSCB-ZDUSSCGKSA-N
MW270.29 g/mol
LogP2.28
Rot. Bonds5

About (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid

(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid (PubChem CID 851940) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
PubChem CID851940
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H14N2O3/c18-14(17-12-7-4-8-16-10-12)9-13(15(19)20)11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyZOSYKSCQVRFSCB-ZDUSSCGKSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
CID 44993995
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
4-(4-carbamoylanilino)-4-oxo-2-phenylbutanoic acid
CID 42930491
4-oxo-2-phenyl-4-[4-(triazol-2-yl)anilino]butanoic acid
CID 166288333
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462

Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid (CID 851940) is (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid is O=C(C[C@H](C(=O)O)c1ccccc1)Nc1cccnc1.
What is the InChIKey of (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid?
The InChIKey is ZOSYKSCQVRFSCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(17-12-7-4-8-16-10-12)9-13(15(19)20)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)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid?
(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 851940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).