tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate

C15H27NO5 — CID 59366894

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate
SMILESC[C@H](CCC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-11(9-8-10-17)16(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h10-11H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyAQJPHYDUAZESHQ-LLVKDONJSA-N
MW301.38 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate (PubChem CID 59366894) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate
PubChem CID59366894
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate
SMILESC[C@H](CCC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-11(9-8-10-17)16(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h10-11H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyAQJPHYDUAZESHQ-LLVKDONJSA-N
XLogP3.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate
CID 10891497
tert-Butyl methyl(4-oxobutyl)carbamate
CID 15078448
Carbamic acid, N-methyl-N-(5-oxopentyl)-, 1,1-dimethylethyl ester
CID 118519664
tert-butyl N-(3-formylcyclobutyl)-N-methylcarbamate
CID 164574198
(S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester
CID 54220075
Imidodicarbonic acid, 2-(5-oxopentyl)-, 1,3-bis(1,1-dimethylethyl) ester
CID 11109404
(1S,2S)-(1-Formyl-2-methyl-butyl)-methyl-carbamic acid tert-butyl ester
CID 11535949
tert-butyl N-methyl-N-(4-oxobutan-2-yl)carbamate
CID 22714607
tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate
CID 22714616
ethyl 4-(N-methyl-N-(tert-butoxycarbonyl)amino)pentanoate
CID 22714633
tert-butyl N-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]carbamate
CID 54220076
tert-butyl N-methyl-N-(4-methyl-1-oxopentan-2-yl)carbamate
CID 57056997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate (CID 59366894) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate is C[C@H](CCC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate?
The InChIKey is AQJPHYDUAZESHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27NO5/c1-11(9-8-10-17)16(12(18)20-14(2,3)4)13(19)21-15(5,6)7/h10-11H,8-9H2,1-7H3/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate has a molecular weight of 301.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(2R)-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 59366894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).