3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 113418310

IUPAC3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-6-7-16(9-10)14(19)15-12-5-3-4-11(8-12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyVMYFQGUJJCSDDB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds3

About 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 113418310) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID113418310
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-10-6-7-16(9-10)14(19)15-12-5-3-4-11(8-12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyVMYFQGUJJCSDDB-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

1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide
CID 138014357
3-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114172541

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 113418310) is 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCN(C(=O)NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VMYFQGUJJCSDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-10-6-7-16(9-10)14(19)15-12-5-3-4-11(8-12)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-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 3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113418310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).