3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid

C9H15NO2 — CID 105434110

IUPAC3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2)C1
InChIInChI=1S/C9H15NO2/c11-9(12)7-5-8(6-7)10-3-1-2-4-10/h7-8H,1-6H2,(H,11,12)
InChIKeyCTRZFVYPNFTCQL-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.95
Rot. Bonds2

About 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid

3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid (PubChem CID 105434110) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid
PubChem CID105434110
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2)C1
InChIInChI=1S/C9H15NO2/c11-9(12)7-5-8(6-7)10-3-1-2-4-10/h7-8H,1-6H2,(H,11,12)
InChIKeyCTRZFVYPNFTCQL-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Rac-(1r,3r)-3-(dimethylamino)cyclobutane-1-carboxylic acid hydrochloride
CID 90411221
Rac-(1s,3s)-3-(pyrrolidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 154878787
3-(Dimethylamino)cyclobutane-1-carboxylic acid
CID 68016738
(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
CID 130195708
1-Cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
CID 115017250
3-(3-Fluoroazetidin-1-yl)cyclobutane-1-carboxylic acid
CID 177800029
4-Pyrrolidin-1-yl-pentanoic acid
CID 18524006
(3S,5R)-1,5-dimethylpyrrolidine-3-carboxylic acid
CID 59166753
3-(N-methylacetamido)cyclobutane-1-carboxylic acid
CID 69261995
1,5-Dimethylpyrrolidine-3-carboxylic acid
CID 72236111
(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid
CID 96636817
Methyl 3-(pyrrolidin-1-yl)cyclobutane-1-carboxylate
CID 163321149

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid (CID 105434110) is 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid is O=C(O)C1CC(N2CCCC2)C1.
What is the InChIKey of 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid?
The InChIKey is CTRZFVYPNFTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)7-5-8(6-7)10-3-1-2-4-10/h7-8H,1-6H2,(H,11,12).
What are the key properties of 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid?
3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 105434110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).