methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate

C12H19N3O3 — CID 43623190

IUPACmethyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CCn1cccn1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-9(2)11(12(17)18-3)14-10(16)5-8-15-7-4-6-13-15/h4,6-7,9,11H,5,8H2,1-3H3,(H,14,16)
InChIKeyXIWYVJYCXUUHFA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.59
Rot. Bonds6

About methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate

methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate (PubChem CID 43623190) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
PubChem CID43623190
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CCn1cccn1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-9(2)11(12(17)18-3)14-10(16)5-8-15-7-4-6-13-15/h4,6-7,9,11H,5,8H2,1-3H3,(H,14,16)
InChIKeyXIWYVJYCXUUHFA-UHFFFAOYSA-N
XLogP0.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
methyl 3-methyl-2-[3-(triazol-1-yl)propanoylamino]butanoate
CID 43423188
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
methyl (2S)-2-(3-bromopropanoylamino)-3-methylbutanoate
CID 25199247
methyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 63040313

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate (CID 43623190) is methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate is COC(=O)C(NC(=O)CCn1cccn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate?
The InChIKey is XIWYVJYCXUUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)11(12(17)18-3)14-10(16)5-8-15-7-4-6-13-15/h4,6-7,9,11H,5,8H2,1-3H3,(H,14,16).
What are the key properties of methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate?
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate has a molecular weight of 253.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate is sourced from PubChem (CID 43623190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).