4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C11H17NO3 — CID 11572026

IUPAC4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H17NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyDCBNBDWNIQBLEH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds2

About 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 11572026) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID11572026
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H17NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyDCBNBDWNIQBLEH-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 11572026) is 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is DCBNBDWNIQBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10-2-1-7-12(10)9-5-3-8(4-6-9)11(14)15/h8-9H,1-7H2,(H,14,15).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11572026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).