2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C14H18N2O4 — CID 43360404

IUPAC2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C(=O)O)C2CC2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-7-6-8(2)15-11(17)10(7)12(18)16-14(3,13(19)20)9-4-5-9/h6,9H,4-5H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUEJYGAFOSMLDHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.97
Rot. Bonds4

About 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 43360404) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID43360404
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C(=O)O)C2CC2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-7-6-8(2)15-11(17)10(7)12(18)16-14(3,13(19)20)9-4-5-9/h6,9H,4-5H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyUEJYGAFOSMLDHW-UHFFFAOYSA-N
XLogP0.97
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 43163013
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
1-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43172473
2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43172585
2-cyclopropyl-2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 43341269
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353292
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43619042
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43623898
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 43631017
(2S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 61136805
(2S,3S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 61137076
(2S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 61172397

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 43360404) is 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)NC(C)(C(=O)O)C2CC2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is UEJYGAFOSMLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-7-6-8(2)15-11(17)10(7)12(18)16-14(3,13(19)20)9-4-5-9/h6,9H,4-5H2,1-3H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43360404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).