2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C9H13N3O4 — CID 66174202

IUPAC2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)(O)C(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O4/c1-5-3-6(12-11-5)7(13)10-4-9(2,16)8(14)15/h3,16H,4H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyRMXXHPXSTNSWJY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.72
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 66174202) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID66174202
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)(O)C(=O)O)n[nH]1
InChIInChI=1S/C9H13N3O4/c1-5-3-6(12-11-5)7(13)10-4-9(2,16)8(14)15/h3,16H,4H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyRMXXHPXSTNSWJY-UHFFFAOYSA-N
XLogP-0.72
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic 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

2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
CID 66174400
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
CID 111478104
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 66174202) is 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCC(C)(O)C(=O)O)n[nH]1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is RMXXHPXSTNSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5-3-6(12-11-5)7(13)10-4-9(2,16)8(14)15/h3,16H,4H2,1-2H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66174202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).