2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid

C19H22N2O4 — CID 82031626

IUPAC2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid
SMILESCc1cccc(=O)n1C(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13-8-7-11-16(22)21(13)19(2,3)18(25)20-15(17(23)24)12-14-9-5-4-6-10-14/h4-11,15H,12H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyVSAHONJHELSJBC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.70
Rot. Bonds6

About 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid

2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid (PubChem CID 82031626) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid
PubChem CID82031626
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid
SMILESCc1cccc(=O)n1C(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13-8-7-11-16(22)21(13)19(2,3)18(25)20-15(17(23)24)12-14-9-5-4-6-10-14/h4-11,15H,12H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyVSAHONJHELSJBC-UHFFFAOYSA-N
XLogP1.70
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
CID 103868984
2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 16770506
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
2-[(2,2-difluoro-3-methoxypropanoyl)amino]-3-phenylpropanoic acid
CID 167835410
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 72975437

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid (CID 82031626) is 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid is Cc1cccc(=O)n1C(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is VSAHONJHELSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-8-7-11-16(22)21(13)19(2,3)18(25)20-15(17(23)24)12-14-9-5-4-6-10-14/h4-11,15H,12H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid?
2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 342.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 82031626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).