tert-butyl N-(2-methyloxan-4-yl)carbamate

C11H21NO3 — CID 103887643

IUPACtert-butyl N-(2-methyloxan-4-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyDOBZKKOQPZPSOG-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl N-(2-methyloxan-4-yl)carbamate

tert-butyl N-(2-methyloxan-4-yl)carbamate (PubChem CID 103887643) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-methyloxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyloxan-4-yl)carbamate
PubChem CID103887643
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-methyloxan-4-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyDOBZKKOQPZPSOG-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[[2-[(2-methyloxan-4-yl)amino]cyclopentyl]methyl]carbamate
CID 103910973
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
CID 126804109
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyloxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyloxan-4-yl)carbamate (CID 103887643) is tert-butyl N-(2-methyloxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyloxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyloxan-4-yl)carbamate is CC1CC(NC(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-(2-methyloxan-4-yl)carbamate?
The InChIKey is DOBZKKOQPZPSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-7-9(5-6-14-8)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(2-methyloxan-4-yl)carbamate?
tert-butyl N-(2-methyloxan-4-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyloxan-4-yl)carbamate is sourced from PubChem (CID 103887643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).