3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 83071541

IUPAC3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2CCCC(C(=O)O)C2)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-14(7-4-8-15-14)13(19)16-11-6-3-5-10(9-11)12(17)18/h10-11,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKRNDSDOPQYAJBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds4

About 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83071541) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83071541
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2CCCC(C(=O)O)C2)CCCN1
InChIInChI=1S/C14H24N2O3/c1-2-14(7-4-8-15-14)13(19)16-11-6-3-5-10(9-11)12(17)18/h10-11,15H,2-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKRNDSDOPQYAJBY-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
cis-(1R,3S)-3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173484
3-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030179
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83072478
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390
N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83071563
N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071697
2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071553
2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 114123001

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 83071541) is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1(C(=O)NC2CCCC(C(=O)O)C2)CCCN1.
What is the InChIKey of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KRNDSDOPQYAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(7-4-8-15-14)13(19)16-11-6-3-5-10(9-11)12(17)18/h10-11,15H,2-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83071541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).