(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid

C12H16N2O3 — CID 106752669

IUPAC(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)ccn1
InChIInChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-4-5-13-8(3)6-9/h4-7,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyKLDZRRDBNXAYHC-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.23
Rot. Bonds4

About (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (PubChem CID 106752669) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
PubChem CID106752669
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)ccn1
InChIInChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-4-5-13-8(3)6-9/h4-7,10H,1-3H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyKLDZRRDBNXAYHC-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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Launch Full Analysis

Related Compounds

3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid
CID 119369572
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid (CID 106752669) is (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)ccn1.
What is the InChIKey of (2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is KLDZRRDBNXAYHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)10(12(16)17)14-11(15)9-4-5-13-8(3)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-[(2-methylpyridine-4-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(2-methylpyridine-4-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-[(2-methylpyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 106752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).