tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate

C12H25NO7 — CID 13034825

IUPACtert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO7/c1-12(2,3)20-11(19)13(4)5-7(15)9(17)10(18)8(16)6-14/h7-10,14-18H,5-6H2,1-4H3
InChIKeyNNTYBRYFSJTNOS-UHFFFAOYSA-N
MW295.33 g/mol
LogP-1.71
Rot. Bonds6

About tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate

tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate (PubChem CID 13034825) has the molecular formula C12H25NO7 and a molecular weight of 295.33 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
PubChem CID13034825
Molecular FormulaC12H25NO7
Molecular Weight295.33 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO7/c1-12(2,3)20-11(19)13(4)5-7(15)9(17)10(18)8(16)6-14/h7-10,14-18H,5-6H2,1-4H3
InChIKeyNNTYBRYFSJTNOS-UHFFFAOYSA-N
XLogP-1.71
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate
CID 119037331
tert-butyl N-[3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-methylamino]propyl]-N-methylcarbamate
CID 100654760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate (CID 13034825) is tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate is CN(CC(O)C(O)C(O)C(O)CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
The InChIKey is NNTYBRYFSJTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO7/c1-12(2,3)20-11(19)13(4)5-7(15)9(17)10(18)8(16)6-14/h7-10,14-18H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate?
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate has a molecular weight of 295.33 g/mol, XLogP of -1.71, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate is sourced from PubChem (CID 13034825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).