2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid

C12H17N3O3 — CID 120521290

IUPAC2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
SMILESCn1nccc1CCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-15-9(6-7-13-15)4-5-10(16)14-11(12(17)18)8-2-3-8/h6-8,11H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFSQDBUXLDFQXSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.33
Rot. Bonds6

About 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid

2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid (PubChem CID 120521290) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
PubChem CID120521290
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
SMILESCn1nccc1CCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H17N3O3/c1-15-9(6-7-13-15)4-5-10(16)14-11(12(17)18)8-2-3-8/h6-8,11H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFSQDBUXLDFQXSD-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid 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

2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
3-(2-methylpyrazol-3-yl)-N-[1-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 122568703
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid (CID 120521290) is 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid is Cn1nccc1CCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid?
The InChIKey is FSQDBUXLDFQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-9(6-7-13-15)4-5-10(16)14-11(12(17)18)8-2-3-8/h6-8,11H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid is sourced from PubChem (CID 120521290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).