2-[2-(aminomethyl)cyclobutyl]acetic acid

C7H13NO2 — CID 129286668

IUPAC2-[2-(aminomethyl)cyclobutyl]acetic acid
SMILESNCC1CCC1CC(=O)O
InChIInChI=1S/C7H13NO2/c8-4-6-2-1-5(6)3-7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyLMAQCRQQCFMZAY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.45
Rot. Bonds3

About 2-[2-(aminomethyl)cyclobutyl]acetic acid

2-[2-(aminomethyl)cyclobutyl]acetic acid (PubChem CID 129286668) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclobutyl]acetic acid
PubChem CID129286668
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[2-(aminomethyl)cyclobutyl]acetic acid
SMILESNCC1CCC1CC(=O)O
InChIInChI=1S/C7H13NO2/c8-4-6-2-1-5(6)3-7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyLMAQCRQQCFMZAY-UHFFFAOYSA-N
XLogP0.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(aminomethyl)cyclobutyl]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-[2-(aminomethyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)cyclobutyl]acetic acid (CID 129286668) is 2-[2-(aminomethyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)cyclobutyl]acetic acid is NCC1CCC1CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)cyclobutyl]acetic acid?
The InChIKey is LMAQCRQQCFMZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-4-6-2-1-5(6)3-7(9)10/h5-6H,1-4,8H2,(H,9,10).
What are the key properties of 2-[2-(aminomethyl)cyclobutyl]acetic acid?
2-[2-(aminomethyl)cyclobutyl]acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclobutyl]acetic acid is sourced from PubChem (CID 129286668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).