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

C12H16N2O3 — CID 79011144

IUPAC(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H16N2O3/c1-7(2)9(12(16)17)14-11(15)10-8(3)5-4-6-13-10/h4-7,9H,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyCOWUYAKEMZTIHX-SECBINFHSA-N
MW236.27 g/mol
LogP1.23
Rot. Bonds4

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

(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 79011144) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID79011144
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H16N2O3/c1-7(2)9(12(16)17)14-11(15)10-8(3)5-4-6-13-10/h4-7,9H,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyCOWUYAKEMZTIHX-SECBINFHSA-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

(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
3-methyl-2-(pyrimidine-2-carbonylamino)butanoic acid
CID 115729571
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (CID 79011144) is (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is Cc1cccnc1C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is COWUYAKEMZTIHX-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)9(12(16)17)14-11(15)10-8(3)5-4-6-13-10/h4-7,9H,1-3H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(3-methylpyridine-2-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-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79011144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).