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

C13H18N2O4 — CID 105063303

IUPAC(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1cnccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)10(12(17)18)15-11(16)8-5-6-14-7-9(8)19-4/h5-7,10H,1-4H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyFQHPBRWHFMCSBV-JTQLQIEISA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds4

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

(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 105063303) 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]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID105063303
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCOc1cnccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)10(12(17)18)15-11(16)8-5-6-14-7-9(8)19-4/h5-7,10H,1-4H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyFQHPBRWHFMCSBV-JTQLQIEISA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 105063303) is (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid is COc1cnccc1C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is FQHPBRWHFMCSBV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)10(12(17)18)15-11(16)8-5-6-14-7-9(8)19-4/h5-7,10H,1-4H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 4 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]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 105063303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).