[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate

C18H33N3O3 — CID 143146345

IUPAC[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCC(C[C@H](N)C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-20(4-2)18(23)24-15-9-7-14(8-10-15)13-16(19)17(22)21-11-5-6-12-21/h14-16H,3-13,19H2,1-2H3/t14?,15?,16-/m0/s1
InChIKeyWQSVMROIBXCAKS-GPANFISMSA-N
MW339.48 g/mol
LogP2.36
Rot. Bonds6

About [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate

[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate (PubChem CID 143146345) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
PubChem CID143146345
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1CCC(C[C@H](N)C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-20(4-2)18(23)24-15-9-7-14(8-10-15)13-16(19)17(22)21-11-5-6-12-21/h14-16H,3-13,19H2,1-2H3/t14?,15?,16-/m0/s1
InChIKeyWQSVMROIBXCAKS-GPANFISMSA-N
XLogP2.36
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate with MolForge

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Related Compounds

cyclobutyl N,N-diethylcarbamate
CID 89379531
(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 112735279
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-3-cyclopropylpropanoate
CID 58339724
2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 114264852
(2S)-2-aminopropanoic acid;N,N-diethylpyrrolidine-1-carboxamide
CID 174538699
1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate?
The IUPAC name of [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate (CID 143146345) is [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate?
The canonical SMILES for [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate is CCN(CC)C(=O)OC1CCC(C[C@H](N)C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate?
The InChIKey is WQSVMROIBXCAKS-GPANFISMSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-20(4-2)18(23)24-15-9-7-14(8-10-15)13-16(19)17(22)21-11-5-6-12-21/h14-16H,3-13,19H2,1-2H3/t14?,15?,16-/m0/s1.
What are the key properties of [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate?
[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate has a molecular weight of 339.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate is sourced from PubChem (CID 143146345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).