3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride

C13H24ClN3O2 — CID 119700662

IUPAC3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC(=O)N2CCCC2)C1
InChIInChI=1S/C13H23N3O2.ClH/c14-11-5-3-4-10(8-11)13(18)15-9-12(17)16-6-1-2-7-16;/h10-11H,1-9,14H2,(H,15,18);1H
InChIKeyLTQUCRFMKYCBHD-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119700662) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119700662
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC(=O)N2CCCC2)C1
InChIInChI=1S/C13H23N3O2.ClH/c14-11-5-3-4-10(8-11)13(18)15-9-12(17)16-6-1-2-7-16;/h10-11H,1-9,14H2,(H,15,18);1H
InChIKeyLTQUCRFMKYCBHD-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119700658
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CID 119687746
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 106291669
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119700662) is 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCC(=O)N2CCCC2)C1.
What is the InChIKey of 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LTQUCRFMKYCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c14-11-5-3-4-10(8-11)13(18)15-9-12(17)16-6-1-2-7-16;/h10-11H,1-9,14H2,(H,15,18);1H.
What are the key properties of 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).