2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid

C10H15N3O3 — CID 62676010

IUPAC2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESCC(CNC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)6-11-9(14)8(2)13-5-3-4-12-13/h3-5,7-8H,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyCKFIHHRFELXVCT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.28
Rot. Bonds5

About 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid

2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid (PubChem CID 62676010) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
PubChem CID62676010
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESCC(CNC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)6-11-9(14)8(2)13-5-3-4-12-13/h3-5,7-8H,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyCKFIHHRFELXVCT-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]butanoic acid
CID 65220604
4,4-dimethyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]pentanoic acid
CID 107474489
5-methyl-3-[(2-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493074
(2S)-N-[(2S)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541422
(2S)-N-[(2R)-2-phenoxypropyl]-2-pyrazol-1-ylpropanamide
CID 96541424
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-(2-amino-2-methylpropyl)-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119626027
(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
CID 107831630
1-(2-pyrazol-1-ylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453195
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid (CID 62676010) is 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid is CC(CNC(=O)C(C)n1cccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid?
The InChIKey is CKFIHHRFELXVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(10(15)16)6-11-9(14)8(2)13-5-3-4-12-13/h3-5,7-8H,6H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid?
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 62676010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).