5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C13H15NO3 — CID 13487071

IUPAC5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccc2n1CCC2C(=O)O)C1CCC1
InChIInChI=1S/C13H15NO3/c15-12(8-2-1-3-8)11-5-4-10-9(13(16)17)6-7-14(10)11/h4-5,8-9H,1-3,6-7H2,(H,16,17)
InChIKeyJSRFJIGJFAOMEW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.04
Rot. Bonds3

About 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 13487071) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID13487071
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccc2n1CCC2C(=O)O)C1CCC1
InChIInChI=1S/C13H15NO3/c15-12(8-2-1-3-8)11-5-4-10-9(13(16)17)6-7-14(10)11/h4-5,8-9H,1-3,6-7H2,(H,16,17)
InChIKeyJSRFJIGJFAOMEW-UHFFFAOYSA-N
XLogP2.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 13487071) is 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(c1ccc2n1CCC2C(=O)O)C1CCC1.
What is the InChIKey of 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is JSRFJIGJFAOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(8-2-1-3-8)11-5-4-10-9(13(16)17)6-7-14(10)11/h4-5,8-9H,1-3,6-7H2,(H,16,17).
What are the key properties of 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 13487071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).