(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid

C10H15N3O3 — CID 79011182

IUPAC(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-5(2)8(10(15)16)11-9(14)7-4-6(3)12-13-7/h4-5,8H,1-3H3,(H,11,14)(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyCUVJOBPMXOPZOR-MRVPVSSYSA-N
MW225.25 g/mol
LogP0.56
Rot. Bonds4

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

(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid (PubChem CID 79011182) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
PubChem CID79011182
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-5(2)8(10(15)16)11-9(14)7-4-6(3)12-13-7/h4-5,8H,1-3H3,(H,11,14)(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyCUVJOBPMXOPZOR-MRVPVSSYSA-N
XLogP0.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
N-but-3-en-2-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 126992210
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 95615872
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236
3-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]butanoic acid
CID 119170260
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
(2R)-2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119369536
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61137175

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid (CID 79011182) is (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)n[nH]1.
What is the InChIKey of (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
The InChIKey is CUVJOBPMXOPZOR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(2)8(10(15)16)11-9(14)7-4-6(3)12-13-7/h4-5,8H,1-3H3,(H,11,14)(H,12,13)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79011182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).