1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid

C12H19NO3 — CID 11310675

IUPAC1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C12H19NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)
InChIKeyIMKQUGUDMBOQPK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds3

About 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 11310675) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID11310675
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C12H19NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)
InChIKeyIMKQUGUDMBOQPK-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 11310675) is 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IMKQUGUDMBOQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16).
What are the key properties of 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 11310675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).