2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid

C19H22N2O4 — CID 82031529

IUPAC2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
SMILESCCC(C(=O)NC(Cc1ccccc1)C(=O)O)n1ccc(C)cc1=O
InChIInChI=1S/C19H22N2O4/c1-3-16(21-10-9-13(2)11-17(21)22)18(23)20-15(19(24)25)12-14-7-5-4-6-8-14/h4-11,15-16H,3,12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyVQSWQDQMBDKAJY-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid

2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid (PubChem CID 82031529) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
PubChem CID82031529
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
SMILESCCC(C(=O)NC(Cc1ccccc1)C(=O)O)n1ccc(C)cc1=O
InChIInChI=1S/C19H22N2O4/c1-3-16(21-10-9-13(2)11-17(21)22)18(23)20-15(19(24)25)12-14-7-5-4-6-8-14/h4-11,15-16H,3,12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyVQSWQDQMBDKAJY-UHFFFAOYSA-N
XLogP1.92
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
CID 82031535
(2R)-2-[[2-(1,3-dioxoisoindol-2-yl)-6-hydroxyhexanoyl]amino]-3-phenylpropanoic acid
CID 70273266
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218
2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
CID 46842238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid (CID 82031529) is 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid is CCC(C(=O)NC(Cc1ccccc1)C(=O)O)n1ccc(C)cc1=O.
What is the InChIKey of 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid?
The InChIKey is VQSWQDQMBDKAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-16(21-10-9-13(2)11-17(21)22)18(23)20-15(19(24)25)12-14-7-5-4-6-8-14/h4-11,15-16H,3,12H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid?
2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid has a molecular weight of 342.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 82031529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).