(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid

C12H16N2O3 — CID 30066832

IUPAC(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cn1
InChIInChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(3)13-6-9/h4-7,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyQFHYXTXDEULIQP-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.23
Rot. Bonds4

About (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid (PubChem CID 30066832) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
PubChem CID30066832
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cn1
InChIInChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(3)13-6-9/h4-7,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyQFHYXTXDEULIQP-SNVBAGLBSA-N
XLogP1.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-(1-chloro-3-methylbutan-2-yl)-6-methylpyridine-3-carboxamide
CID 114305415
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
(2S)-3-methyl-2-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 119360590
N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
CID 61121839
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid (CID 30066832) is (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid is Cc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cn1.
What is the InChIKey of (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is QFHYXTXDEULIQP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-5-4-8(3)13-6-9/h4-7,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 30066832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).