1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid

C14H23NO3 — CID 18624629

IUPAC1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H23NO3/c16-13(9-8-11-5-2-1-3-6-11)15-10-4-7-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyXOQZZAULXQSPDZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid

1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 18624629) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID18624629
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C14H23NO3/c16-13(9-8-11-5-2-1-3-6-11)15-10-4-7-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyXOQZZAULXQSPDZ-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid (CID 18624629) is 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XOQZZAULXQSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(9-8-11-5-2-1-3-6-11)15-10-4-7-12(15)14(17)18/h11-12H,1-10H2,(H,17,18).
What are the key properties of 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18624629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).