tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate

C12H22N2O5 — CID 164580567

IUPACtert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](COC(N)=O)OC1
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)7-18-10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)/t8-,9+/m1/s1
InChIKeyOCOCTYUDJNKDQW-BDAKNGLRSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds3

About tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate (PubChem CID 164580567) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
PubChem CID164580567
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nametert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](COC(N)=O)OC1
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)7-18-10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)/t8-,9+/m1/s1
InChIKeyOCOCTYUDJNKDQW-BDAKNGLRSA-N
XLogP1.15
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid
CID 175783825
tert-butyl N-[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamate;[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl methanesulfonate
CID 162042345
tert-butyl N-[(3R,6S)-6-[(cyanoamino)methyl]oxan-3-yl]carbamate
CID 164580553
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl 4-methylbenzenesulfonate
CID 87372698
tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate
CID 164580612
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate (CID 164580567) is tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](COC(N)=O)OC1.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate?
The InChIKey is OCOCTYUDJNKDQW-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)7-18-10(13)15/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 164580567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).