tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate

C12H21NO5 — CID 21077911

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-11(2,3)17-9(15)13(7-8-14)10(16)18-12(4,5)6/h8H,7H2,1-6H3
InChIKeyLAQWORBIRNDHQO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate (PubChem CID 21077911) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate
PubChem CID21077911
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-11(2,3)17-9(15)13(7-8-14)10(16)18-12(4,5)6/h8H,7H2,1-6H3
InChIKeyLAQWORBIRNDHQO-UHFFFAOYSA-N
XLogP2.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.36
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-methyl-N-(2-oxoethyl)carbamate
CID 10725881
tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate
CID 10891497
tert-butyl N-tert-butyl-N-(2-oxoethyl)carbamate
CID 21955213
tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
CID 71757843
1,1-Dimethylethyl N,N-bis(2-oxoethyl)carbamate
CID 13574547
tert-butyl N-(2-fluoro-2-oxoethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 15037819
tert-butyl N-(1-fluoro-3-oxopropan-2-yl)-N-methylcarbamate
CID 84722050
Methyl 2-(bis(tert-butoxycarbonyl)amino)acetate
CID 11044445
tert-butyl N-methyl-N-(1-oxopropan-2-yl)carbamate
CID 14608295
tert-butyl N-methyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 14608296
Tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate
CID 15382677
tert-Butyl ethyl(2-oxoethyl)carbamate
CID 18354425

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate (CID 21077911) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate is CC(C)(C)OC(=O)N(CC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate?
The InChIKey is LAQWORBIRNDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)17-9(15)13(7-8-14)10(16)18-12(4,5)6/h8H,7H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxoethyl)carbamate has a molecular weight of 259.30 g/mol, XLogP of 2.36, 2 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-(2-oxoethyl)carbamate is sourced from PubChem (CID 21077911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).