3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C14H26ClN3O2 — CID 119740525

IUPAC3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN1CCCC1=O)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-10(9-17-7-3-6-13(17)18)16-14(19)11-4-2-5-12(15)8-11;/h10-12H,2-9,15H2,1H3,(H,16,19);1H
InChIKeyVGVSJEOZJQDSQN-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119740525) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119740525
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CN1CCCC1=O)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-10(9-17-7-3-6-13(17)18)16-14(19)11-4-2-5-12(15)8-11;/h10-12H,2-9,15H2,1H3,(H,16,19);1H
InChIKeyVGVSJEOZJQDSQN-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119740521
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4-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopent-2-ene-1-carboxamide
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3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
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1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
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2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
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(2R)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-2-carboxamide
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3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119740525) is 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CC(CN1CCCC1=O)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VGVSJEOZJQDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-10(9-17-7-3-6-13(17)18)16-14(19)11-4-2-5-12(15)8-11;/h10-12H,2-9,15H2,1H3,(H,16,19);1H.
What are the key properties of 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119740525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).