tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate

C16H29N3O3 — CID 103720241

IUPACtert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCC2CCC(=O)N2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-12-6-4-5-11(9-12)17-10-13-7-8-14(20)18-13/h11-13,17H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYAUYOWXQAZVFAH-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.69
Rot. Bonds4

About tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate

tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate (PubChem CID 103720241) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
PubChem CID103720241
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCC2CCC(=O)N2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-12-6-4-5-11(9-12)17-10-13-7-8-14(20)18-13/h11-13,17H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYAUYOWXQAZVFAH-UHFFFAOYSA-N
XLogP1.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexyl]carbamate
CID 106024119
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate (CID 103720241) is tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCC2CCC(=O)N2)C1.
What is the InChIKey of tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is YAUYOWXQAZVFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-12-6-4-5-11(9-12)17-10-13-7-8-14(20)18-13/h11-13,17H,4-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-oxopyrrolidin-2-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103720241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).