1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid

C10H17NO2 — CID 130601346

IUPAC1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
SMILESCC1(CN2CC(C(=O)O)C2)CCC1
InChIInChI=1S/C10H17NO2/c1-10(3-2-4-10)7-11-5-8(6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyRMKAFPXYJZBKDK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds3

About 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid

1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid (PubChem CID 130601346) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
PubChem CID130601346
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
SMILESCC1(CN2CC(C(=O)O)C2)CCC1
InChIInChI=1S/C10H17NO2/c1-10(3-2-4-10)7-11-5-8(6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13)
InChIKeyRMKAFPXYJZBKDK-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 164660825
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178038134
1-(2-oxoethyl)azetidine-3-carboxylic acid
CID 134282247
1-acetyl-4-[(1-hydroxycycloheptyl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132649094
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
CID 130601547
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid (CID 130601346) is 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid is CC1(CN2CC(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid?
The InChIKey is RMKAFPXYJZBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(3-2-4-10)7-11-5-8(6-11)9(12)13/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid?
1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 130601346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).