[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate

C11H21NO6S — CID 130435677

IUPAC[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C11H21NO6S/c1-11(2,3)18-10(13)12-9-7-16-5-8(9)6-17-19(4,14)15/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyAUDCYPUCBVNRTG-BDAKNGLRSA-N
MW295.36 g/mol
LogP0.50
Rot. Bonds4

About [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate

[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate (PubChem CID 130435677) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate
PubChem CID130435677
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C11H21NO6S/c1-11(2,3)18-10(13)12-9-7-16-5-8(9)6-17-19(4,14)15/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyAUDCYPUCBVNRTG-BDAKNGLRSA-N
XLogP0.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate with MolForge

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Related Compounds

tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
[(1R,2S,4S)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl methanesulfonate
CID 86717515
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-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
2-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl methanesulfonate
CID 18453433
tert-butyl N-[(3S,4S)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
CID 131732612
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076
tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate
CID 123354252

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate?
The IUPAC name of [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate (CID 130435677) is [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate.
What is the SMILES notation for [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate?
The canonical SMILES for [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate is CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate?
The InChIKey is AUDCYPUCBVNRTG-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-11(2,3)18-10(13)12-9-7-16-5-8(9)6-17-19(4,14)15/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate?
[(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate has a molecular weight of 295.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolan-3-yl]methyl methanesulfonate is sourced from PubChem (CID 130435677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).