tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate

C11H21NO5 — CID 167723194

IUPACtert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(O)COCCC1O
InChIInChI=1S/C11H21NO5/c1-10(2,3)17-9(14)12-6-11(15)7-16-5-4-8(11)13/h8,13,15H,4-7H2,1-3H3,(H,12,14)
InChIKeyHEBKORHLILQVRN-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.02
Rot. Bonds2

About tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate

tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate (PubChem CID 167723194) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
PubChem CID167723194
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(O)COCCC1O
InChIInChI=1S/C11H21NO5/c1-10(2,3)17-9(14)12-6-11(15)7-16-5-4-8(11)13/h8,13,15H,4-7H2,1-3H3,(H,12,14)
InChIKeyHEBKORHLILQVRN-UHFFFAOYSA-N
XLogP0.02
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(3R,4R)-3,4-dihydroxyoxan-4-yl]methyl]carbamate;osmium
CID 175946854
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
tert-butyl N-[(2-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]carbamate
CID 167717991
tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75406583
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[(3-ethynyloxetan-3-yl)methyl]carbamate
CID 53415225
tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
CID 115050416
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
CID 90325385
1-hydroxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(sulfinoamino)cyclohexane
CID 153295984
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate (CID 167723194) is tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(O)COCCC1O.
What is the InChIKey of tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate?
The InChIKey is HEBKORHLILQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-10(2,3)17-9(14)12-6-11(15)7-16-5-4-8(11)13/h8,13,15H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate?
tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate is sourced from PubChem (CID 167723194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).