4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H23NO3 — CID 63783009

IUPAC4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-14(2)8-3-9-15(14)12(16)10-4-6-11(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyMWFHNPPSOQQXAO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783009) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783009
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-14(2)8-3-9-15(14)12(16)10-4-6-11(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyMWFHNPPSOQQXAO-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783009) is 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1(C)CCCN1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is MWFHNPPSOQQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)8-3-9-15(14)12(16)10-4-6-11(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).