(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid

C14H20N2O4 — CID 126438851

IUPAC(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(=O)c(C(=O)N[C@H](CC(=O)O)C(C)C)cn1C
InChIInChI=1S/C14H20N2O4/c1-8(2)11(6-13(18)19)15-14(20)10-7-16(4)9(3)5-12(10)17/h5,7-8,11H,6H2,1-4H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyOYZFMYCBXUATJP-LLVKDONJSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds5

About (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid

(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 126438851) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID126438851
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(=O)c(C(=O)N[C@H](CC(=O)O)C(C)C)cn1C
InChIInChI=1S/C14H20N2O4/c1-8(2)11(6-13(18)19)15-14(20)10-7-16(4)9(3)5-12(10)17/h5,7-8,11H,6H2,1-4H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyOYZFMYCBXUATJP-LLVKDONJSA-N
XLogP0.92
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
CID 122563391
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276
1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
CID 118773094
3-[(2-bromo-5-iodobenzoyl)amino]-4-methylpentanoic acid
CID 114027480
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
1,6-dimethyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4-oxopyridine-3-carboxamide
CID 154756242
3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037140
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
CID 87833179
3-acetamido-4-methylpentanoic acid
CID 22460001
N-[(3R)-1-methoxy-4-methylpentan-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 97320787

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 126438851) is (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid is Cc1cc(=O)c(C(=O)N[C@H](CC(=O)O)C(C)C)cn1C.
What is the InChIKey of (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is OYZFMYCBXUATJP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8(2)11(6-13(18)19)15-14(20)10-7-16(4)9(3)5-12(10)17/h5,7-8,11H,6H2,1-4H3,(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid?
(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 126438851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).