tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate

C13H21NO5 — CID 90328403

IUPACtert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate
SMILESCOC(=O)N(C(=O)OC(C)(C)C)C1CC(C)CC1=O
InChIInChI=1S/C13H21NO5/c1-8-6-9(10(15)7-8)14(11(16)18-5)12(17)19-13(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyKMVAQVHVJRVWGV-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.36
Rot. Bonds1

About tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate

tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate (PubChem CID 90328403) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate
PubChem CID90328403
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate
SMILESCOC(=O)N(C(=O)OC(C)(C)C)C1CC(C)CC1=O
InChIInChI=1S/C13H21NO5/c1-8-6-9(10(15)7-8)14(11(16)18-5)12(17)19-13(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyKMVAQVHVJRVWGV-UHFFFAOYSA-N
XLogP2.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-9-methyl-2-oxooxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 130204947
cis-methyl (1S,4R)-4-methyl-2-oxocyclopentane-1-carboxylate
CID 34177212
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 11781588
methyl (6R,8aR)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-1,2,3,6,7,8-hexahydroindolizine-8a-carboxylate
CID 24749729
methyl (2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidine-2-carboxylate
CID 101237918
tert-butyl N-[(3S,4S,5R)-4,5-dimethyl-6-oxooxan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24865314
tert-butyl N-(3-methyl-2-oxocyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 11462005
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
1-O-tert-butyl 2-O-methyl (5R)-5-methyl-3-oxopyrrolidine-1,2-dicarboxylate
CID 70276073
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
trans-methyl (1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylate
CID 129411840
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1R)-1,2,3,4-tetrahydroquinolizin-5-ium-1-yl]carbamate
CID 71559813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate?
The IUPAC name of tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate (CID 90328403) is tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate is COC(=O)N(C(=O)OC(C)(C)C)C1CC(C)CC1=O.
What is the InChIKey of tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate?
The InChIKey is KMVAQVHVJRVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8-6-9(10(15)7-8)14(11(16)18-5)12(17)19-13(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate?
tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate has a molecular weight of 271.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate is sourced from PubChem (CID 90328403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).