3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid

C10H15N3O3 — CID 60988614

IUPAC3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)n1cccn1
InChIInChI=1S/C10H15N3O3/c1-8(13-6-3-5-11-13)10(16)12(2)7-4-9(14)15/h3,5-6,8H,4,7H2,1-2H3,(H,14,15)
InChIKeyKHTAINAQVODEHJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds5

About 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid

3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid (PubChem CID 60988614) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
PubChem CID60988614
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
SMILESCC(C(=O)N(C)CCC(=O)O)n1cccn1
InChIInChI=1S/C10H15N3O3/c1-8(13-6-3-5-11-13)10(16)12(2)7-4-9(14)15/h3,5-6,8H,4,7H2,1-2H3,(H,14,15)
InChIKeyKHTAINAQVODEHJ-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119066815
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86822678
(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 125142916
(2S)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126446968
N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
2-[cyclopentyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid
CID 54926658
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048451
(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
CID 107831630
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86853291

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid (CID 60988614) is 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid is CC(C(=O)N(C)CCC(=O)O)n1cccn1.
What is the InChIKey of 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid?
The InChIKey is KHTAINAQVODEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8(13-6-3-5-11-13)10(16)12(2)7-4-9(14)15/h3,5-6,8H,4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid?
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 60988614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).