1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid

C10H17NO2 — CID 81166804

IUPAC1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1(C)CN(C2(C(=O)O)CCC2)C1
InChIInChI=1S/C10H17NO2/c1-9(2)6-11(7-9)10(8(12)13)4-3-5-10/h3-7H2,1-2H3,(H,12,13)
InChIKeyCZDSFWDSUZFYOP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds2

About 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid

1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 81166804) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID81166804
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1(C)CN(C2(C(=O)O)CCC2)C1
InChIInChI=1S/C10H17NO2/c1-9(2)6-11(7-9)10(8(12)13)4-3-5-10/h3-7H2,1-2H3,(H,12,13)
InChIKeyCZDSFWDSUZFYOP-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid (CID 81166804) is 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid is CC1(C)CN(C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is CZDSFWDSUZFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-11(7-9)10(8(12)13)4-3-5-10/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid?
1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).