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

C13H24ClN3O2 — CID 119277157

IUPAC1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c14-13(6-2-1-3-7-13)12(18)15-10-11(17)16-8-4-5-9-16;/h1-10,14H2,(H,15,18);1H
InChIKeyMTNBGQNBPAOZOH-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.81
Rot. Bonds3

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

1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119277157) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119277157
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C13H23N3O2.ClH/c14-13(6-2-1-3-7-13)12(18)15-10-11(17)16-8-4-5-9-16;/h1-10,14H2,(H,15,18);1H
InChIKeyMTNBGQNBPAOZOH-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115733771
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide;hydrochloride
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1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112701652
1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119272923
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60944631
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119277157) is 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MTNBGQNBPAOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c14-13(6-2-1-3-7-13)12(18)15-10-11(17)16-8-4-5-9-16;/h1-10,14H2,(H,15,18);1H.
What are the key properties of 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119277157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).