3-(aminomethyl)cyclobutane-1-carboxylic acid

C6H11NO2 — CID 58557901

IUPAC3-(aminomethyl)cyclobutane-1-carboxylic acid
SMILESNCC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3,7H2,(H,8,9)
InChIKeyINKSBOBJGZMVTL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.06
Rot. Bonds2

About 3-(aminomethyl)cyclobutane-1-carboxylic acid

3-(aminomethyl)cyclobutane-1-carboxylic acid (PubChem CID 58557901) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(aminomethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)cyclobutane-1-carboxylic acid
PubChem CID58557901
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(aminomethyl)cyclobutane-1-carboxylic acid
SMILESNCC1CC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3,7H2,(H,8,9)
InChIKeyINKSBOBJGZMVTL-UHFFFAOYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid (CID 58557901) is 3-(aminomethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)cyclobutane-1-carboxylic acid is NCC1CC(C(=O)O)C1.
What is the InChIKey of 3-(aminomethyl)cyclobutane-1-carboxylic acid?
The InChIKey is INKSBOBJGZMVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3,7H2,(H,8,9).
What are the key properties of 3-(aminomethyl)cyclobutane-1-carboxylic acid?
3-(aminomethyl)cyclobutane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58557901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).