(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid

C13H18N2O4 — CID 105063148

IUPAC(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cnccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)6-10(13(17)18)15-12(16)9-4-5-14-7-11(9)19-3/h4-5,7-8,10H,6H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyXUVQEWRCIGXTDK-SNVBAGLBSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds6

About (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 105063148) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID105063148
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCOc1cnccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)6-10(13(17)18)15-12(16)9-4-5-14-7-11(9)19-3/h4-5,7-8,10H,6H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyXUVQEWRCIGXTDK-SNVBAGLBSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 105063148) is (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid is COc1cnccc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is XUVQEWRCIGXTDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)6-10(13(17)18)15-12(16)9-4-5-14-7-11(9)19-3/h4-5,7-8,10H,6H2,1-3H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 105063148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).