3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid

C13H17NO2 — CID 117038263

IUPAC3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccccc1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H17NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h2-6,11-12H,7-9H2,1H3,(H,15,16)
InChIKeyFZZZAJVDWOCBSH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.98
Rot. Bonds4

About 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid

3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 117038263) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
PubChem CID117038263
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccccc1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H17NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h2-6,11-12H,7-9H2,1H3,(H,15,16)
InChIKeyFZZZAJVDWOCBSH-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042951
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
3-[(3,4-dimethylphenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042949
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973
3-[2-(3-bromophenyl)ethyl-methylamino]cyclobutane-1-carboxylic acid
CID 117043036
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117043007
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N,4-dimethylcyclohexan-1-amine;ethane
CID 161499393
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid (CID 117038263) is 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid is CN(Cc1ccccc1)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is FZZZAJVDWOCBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(9-10-5-3-2-4-6-10)12-7-11(8-12)13(15)16/h2-6,11-12H,7-9H2,1H3,(H,15,16).
What are the key properties of 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid?
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117038263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).