1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 64742360

IUPAC1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1CCCC(NC(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-4-3-5-12(8-10)15-14(19)16-7-6-11(9-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLKIVSKORCWYBOQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds3

About 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 64742360) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID64742360
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1CCCC(NC(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-4-3-5-12(8-10)15-14(19)16-7-6-11(9-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLKIVSKORCWYBOQ-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
N-(3-ethylcyclohexyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111455996
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 64742360) is 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC1CCCC(NC(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LKIVSKORCWYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-10-4-3-5-12(8-10)15-14(19)16-7-6-11(9-16)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64742360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).