(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid

C14H16N4O3 — CID 119369572

IUPAC(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O
InChIInChI=1S/C14H16N4O3/c1-9(2)12(14(20)21)17-13(19)10-4-6-15-11(8-10)18-7-3-5-16-18/h3-9,12H,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeySJJNLFUVTWHCCZ-GFCCVEGCSA-N
MW288.31 g/mol
LogP1.11
Rot. Bonds5

About (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119369572) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid
PubChem CID119369572
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O
InChIInChI=1S/C14H16N4O3/c1-9(2)12(14(20)21)17-13(19)10-4-6-15-11(8-10)18-7-3-5-16-18/h3-9,12H,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeySJJNLFUVTWHCCZ-GFCCVEGCSA-N
XLogP1.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
CID 120614797
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
(2R)-3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 79009327
(2S)-2-[(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 122049696
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
3-methyl-2-(pyrimidine-2-carbonylamino)butanoic acid
CID 115729571
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid (CID 119369572) is (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is SJJNLFUVTWHCCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(2)12(14(20)21)17-13(19)10-4-6-15-11(8-10)18-7-3-5-16-18/h3-9,12H,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119369572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).