tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate

C11H21NO5 — CID 15344114

IUPACtert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
SMILESC[C@@H]1OC(O)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C11H21NO5/c1-6-9(14)7(5-8(13)16-6)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7-,8?,9+/m0/s1
InChIKeyAKOHJKBMONXUNQ-HAYPURPSSA-N
MW247.29 g/mol
LogP0.37
Rot. Bonds1

About tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate

tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate (PubChem CID 15344114) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
PubChem CID15344114
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
SMILESC[C@@H]1OC(O)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1O
InChIInChI=1S/C11H21NO5/c1-6-9(14)7(5-8(13)16-6)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7-,8?,9+/m0/s1
InChIKeyAKOHJKBMONXUNQ-HAYPURPSSA-N
XLogP0.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,3S,4S,5S,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 10634091
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
(1R,2S,4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 155254697
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 97052837
tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate
CID 66792219
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate (CID 15344114) is tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate is C[C@@H]1OC(O)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1O.
What is the InChIKey of tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate?
The InChIKey is AKOHJKBMONXUNQ-HAYPURPSSA-N. The full InChI is InChI=1S/C11H21NO5/c1-6-9(14)7(5-8(13)16-6)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7-,8?,9+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate?
tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate is sourced from PubChem (CID 15344114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).