1-(aminomethyl)cyclobutane-1-carboxylic acid

C6H11NO2 — CID 23405971

IUPAC1-(aminomethyl)cyclobutane-1-carboxylic acid
SMILESNCC1(C(=O)O)CCC1
InChIInChI=1S/C6H11NO2/c7-4-6(5(8)9)2-1-3-6/h1-4,7H2,(H,8,9)
InChIKeyBKYSXQMTMYOAGR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.20
Rot. Bonds2

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

1-(aminomethyl)cyclobutane-1-carboxylic acid (PubChem CID 23405971) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(aminomethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)cyclobutane-1-carboxylic acid
PubChem CID23405971
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(aminomethyl)cyclobutane-1-carboxylic acid
SMILESNCC1(C(=O)O)CCC1
InChIInChI=1S/C6H11NO2/c7-4-6(5(8)9)2-1-3-6/h1-4,7H2,(H,8,9)
InChIKeyBKYSXQMTMYOAGR-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
1-(2-fluoroethyl)cyclobutane-1-carboxylic acid
CID 80693972
[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-(aminomethyl)cyclopentane-1-carbonyl chloride
CID 45081354
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)cyclobutane-1-carboxylic acid (CID 23405971) is 1-(aminomethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)cyclobutane-1-carboxylic acid is NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-(aminomethyl)cyclobutane-1-carboxylic acid?
The InChIKey is BKYSXQMTMYOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-4-6(5(8)9)2-1-3-6/h1-4,7H2,(H,8,9).
What are the key properties of 1-(aminomethyl)cyclobutane-1-carboxylic acid?
1-(aminomethyl)cyclobutane-1-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 23405971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).