tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate

C15H27N3O3 — CID 168698667

IUPACtert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1N1CC(N)CC1=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h10-12H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyCJAYDVXJLQJSFU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate

tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate (PubChem CID 168698667) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
PubChem CID168698667
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1N1CC(N)CC1=O
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h10-12H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyCJAYDVXJLQJSFU-UHFFFAOYSA-N
XLogP1.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
CID 168716353
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate
CID 159249690
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 69031215
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate (CID 168698667) is tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCCC1N1CC(N)CC1=O.
What is the InChIKey of tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
The InChIKey is CJAYDVXJLQJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-11-6-4-5-7-12(11)18-9-10(16)8-13(18)19/h10-12H,4-9,16H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate?
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 168698667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).