methyl N-(2-methylbutan-2-yloxymethyl)carbamate

C8H17NO3 — CID 89417952

IUPACmethyl N-(2-methylbutan-2-yloxymethyl)carbamate
SMILESCCC(C)(C)OCNC(=O)OC
InChIInChI=1S/C8H17NO3/c1-5-8(2,3)12-6-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyKCAAZVOWHOLBFJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.51
Rot. Bonds4

About methyl N-(2-methylbutan-2-yloxymethyl)carbamate

methyl N-(2-methylbutan-2-yloxymethyl)carbamate (PubChem CID 89417952) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-(2-methylbutan-2-yloxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methylbutan-2-yloxymethyl)carbamate
PubChem CID89417952
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-(2-methylbutan-2-yloxymethyl)carbamate
SMILESCCC(C)(C)OCNC(=O)OC
InChIInChI=1S/C8H17NO3/c1-5-8(2,3)12-6-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10)
InChIKeyKCAAZVOWHOLBFJ-UHFFFAOYSA-N
XLogP1.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl methylcarbamate
CID 527635
Tert-butyl N-(trideuteriomethyl)carbamate
CID 154635979
tert-Butyl formylcarbamate
CID 11958038
tert-butyl N-(1-methoxyethyl)carbamate
CID 57304733
ethane;(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 142957495
(3-fluoro-2-methylbutan-2-yl) N-methylcarbamate
CID 164028222
3,3-dimethylbutyl N-methylcarbamate
CID 57945128
(3-fluoro-2,3-dimethylbutan-2-yl) N-methylcarbamate
CID 144609586
3-methylbutan-2-yl N-methylcarbamate
CID 20668227
2,4-dimethylpentan-3-yl N-methylcarbamate
CID 20671379
2-methylbutan-2-yl N-methylcarbamate
CID 21353742
tert-Butyl ((trimethylsilyl)methyl)carbamate
CID 45092007

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methylbutan-2-yloxymethyl)carbamate?
The IUPAC name of methyl N-(2-methylbutan-2-yloxymethyl)carbamate (CID 89417952) is methyl N-(2-methylbutan-2-yloxymethyl)carbamate.
What is the SMILES notation for methyl N-(2-methylbutan-2-yloxymethyl)carbamate?
The canonical SMILES for methyl N-(2-methylbutan-2-yloxymethyl)carbamate is CCC(C)(C)OCNC(=O)OC.
What is the InChIKey of methyl N-(2-methylbutan-2-yloxymethyl)carbamate?
The InChIKey is KCAAZVOWHOLBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-8(2,3)12-6-9-7(10)11-4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of methyl N-(2-methylbutan-2-yloxymethyl)carbamate?
methyl N-(2-methylbutan-2-yloxymethyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methylbutan-2-yloxymethyl)carbamate is sourced from PubChem (CID 89417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).