4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H23NO3 — CID 63782284

IUPAC4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-2-12-4-3-9-15(12)13(16)10-5-7-11(8-6-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyGNAQDMSNELYWKD-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds3

About 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63782284) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63782284
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-2-12-4-3-9-15(12)13(16)10-5-7-11(8-6-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyGNAQDMSNELYWKD-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784488
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149554
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63782284) is 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is CCC1CCCN1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is GNAQDMSNELYWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-12-4-3-9-15(12)13(16)10-5-7-11(8-6-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).