2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid

C10H15N3O2 — CID 82868834

IUPAC2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
SMILESCn1ccc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-8(12-13)6-11-9(10(14)15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyOHULURIGPIGWIO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds5

About 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid

2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid (PubChem CID 82868834) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
PubChem CID82868834
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
SMILESCn1ccc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-13-5-4-8(12-13)6-11-9(10(14)15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyOHULURIGPIGWIO-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid (CID 82868834) is 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid is Cn1ccc(CNC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
The InChIKey is OHULURIGPIGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-4-8(12-13)6-11-9(10(14)15)7-2-3-7/h4-5,7,9,11H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid is sourced from PubChem (CID 82868834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).