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

C11H14N2O4 — CID 54990799

IUPAC(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyKLDNNMXFTSAHJU-SSDOTTSWSA-N
MW238.24 g/mol
LogP0.19
Rot. Bonds3

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

(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 54990799) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID54990799
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)N[C@H](C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyKLDNNMXFTSAHJU-SSDOTTSWSA-N
XLogP0.19
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975629
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467541
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43171214
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
(2S)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61152695
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-methoxypentanoic acid
CID 81085835
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72866160
N-(4-hydroxy-1-methoxybutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103799171
N-(2-hydroxy-4-methylpentyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103771386
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
N-ethylsulfonyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 167792286
4,6-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
CID 82723840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 54990799) is (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)N[C@H](C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is KLDNNMXFTSAHJU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
(2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54990799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).