(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid

C9H12N4O4 — CID 107821158

IUPAC(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)n1
InChIInChI=1S/C9H12N4O4/c1-13-3-2-5(12-13)8(15)11-6(9(16)17)4-7(10)14/h2-3,6H,4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)/t6-/m1/s1
InChIKeyURMIEFPXNMQRKS-ZCFIWIBFSA-N
MW240.22 g/mol
LogP-1.52
Rot. Bonds5

About (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107821158) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107821158
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCn1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)n1
InChIInChI=1S/C9H12N4O4/c1-13-3-2-5(12-13)8(15)11-6(9(16)17)4-7(10)14/h2-3,6H,4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)/t6-/m1/s1
InChIKeyURMIEFPXNMQRKS-ZCFIWIBFSA-N
XLogP-1.52
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic 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)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
(2R)-4-amino-2-[(1-methylimidazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 107971770
(2S)-4-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110834843
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
4-amino-4-oxo-2-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 43522543
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid (CID 107821158) is (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid is Cn1ccc(C(=O)N[C@H](CC(N)=O)C(=O)O)n1.
What is the InChIKey of (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is URMIEFPXNMQRKS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-13-3-2-5(12-13)8(15)11-6(9(16)17)4-7(10)14/h2-3,6H,4H2,1H3,(H2,10,14)(H,11,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 240.22 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).