2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid

C17H18N2O4 — CID 18469031

IUPAC2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(NC(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C17H18N2O4/c1-12(17(22)23)19-11-5-8-14(16(19)21)18-15(20)10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,22,23)
InChIKeyUHIWRYCIIZVKPK-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid

2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid (PubChem CID 18469031) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
PubChem CID18469031
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1cccc(NC(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C17H18N2O4/c1-12(17(22)23)19-11-5-8-14(16(19)21)18-15(20)10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,22,23)
InChIKeyUHIWRYCIIZVKPK-UHFFFAOYSA-N
XLogP2.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
CID 66853821
N-(6-benzyl-2-oxo-1-propan-2-yl-3-pyridinyl)-3-phenylpropanamide
CID 57296806
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid (CID 18469031) is 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid is CC(C(=O)O)n1cccc(NC(=O)CCc2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The InChIKey is UHIWRYCIIZVKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12(17(22)23)19-11-5-8-14(16(19)21)18-15(20)10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 18469031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).