3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid

C9H13N3O3 — CID 60989525

IUPAC3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O3/c1-11(4-3-8(13)14)9(15)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGDXPQEYFHNATCY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.03
Rot. Bonds4

About 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid

3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 60989525) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID60989525
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H13N3O3/c1-11(4-3-8(13)14)9(15)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyGDXPQEYFHNATCY-UHFFFAOYSA-N
XLogP-0.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 60989525) is 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cnn(C)c1.
What is the InChIKey of 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GDXPQEYFHNATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11(4-3-8(13)14)9(15)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60989525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).