2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid

C9H13N3O3 — CID 110835261

IUPAC2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESCc1cn[nH]c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-4-11-12-7(5)8(13)10-3-6(2)9(14)15/h4,6H,3H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyAOVHHNWUGMTVSV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.17
Rot. Bonds4

About 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid

2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 110835261) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
PubChem CID110835261
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESCc1cn[nH]c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-5-4-11-12-7(5)8(13)10-3-6(2)9(14)15/h4,6H,3H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyAOVHHNWUGMTVSV-UHFFFAOYSA-N
XLogP0.17
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid (CID 110835261) is 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid is Cc1cn[nH]c1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is AOVHHNWUGMTVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-4-11-12-7(5)8(13)10-3-6(2)9(14)15/h4,6H,3H2,1-2H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110835261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).