tert-butyl N-(oxan-3-yl)carbamate

C10H19NO3 — CID 63789746

IUPACtert-butyl N-(oxan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-8-5-4-6-13-7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyIVRNZSUSBWOSMV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl N-(oxan-3-yl)carbamate

tert-butyl N-(oxan-3-yl)carbamate (PubChem CID 63789746) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(oxan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxan-3-yl)carbamate
PubChem CID63789746
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(oxan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-8-5-4-6-13-7-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyIVRNZSUSBWOSMV-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010402
tert-butyl N-[(1S)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010403
N-(oxan-3-yl)acetamide
CID 55285282
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
[(3S)-oxan-3-yl]carbamic acid
CID 141364908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(oxan-3-yl)carbamate (CID 63789746) is tert-butyl N-(oxan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(oxan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(oxan-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCCOC1.
What is the InChIKey of tert-butyl N-(oxan-3-yl)carbamate?
The InChIKey is IVRNZSUSBWOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-8-5-4-6-13-7-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(oxan-3-yl)carbamate?
tert-butyl N-(oxan-3-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxan-3-yl)carbamate is sourced from PubChem (CID 63789746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).