[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate

C13H24N2O6 — CID 68959859

IUPAC[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@@]1(O)O[C@@H](CN2CCCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H24N2O6/c1-14-12(18)20-8-13(19)11(17)10(16)9(21-13)7-15-5-3-2-4-6-15/h9-11,16-17,19H,2-8H2,1H3,(H,14,18)/t9-,10+,11-,13+/m0/s1
InChIKeyRMOYYBIPYVDDAC-SRRSOLGSSA-N
MW304.34 g/mol
LogP-1.36
Rot. Bonds4

About [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate

[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate (PubChem CID 68959859) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate
PubChem CID68959859
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OC[C@@]1(O)O[C@@H](CN2CCCCC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H24N2O6/c1-14-12(18)20-8-13(19)11(17)10(16)9(21-13)7-15-5-3-2-4-6-15/h9-11,16-17,19H,2-8H2,1H3,(H,14,18)/t9-,10+,11-,13+/m0/s1
InChIKeyRMOYYBIPYVDDAC-SRRSOLGSSA-N
XLogP-1.36
TPSA111.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate?
The IUPAC name of [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate (CID 68959859) is [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate is CNC(=O)OC[C@@]1(O)O[C@@H](CN2CCCCC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate?
The InChIKey is RMOYYBIPYVDDAC-SRRSOLGSSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-14-12(18)20-8-13(19)11(17)10(16)9(21-13)7-15-5-3-2-4-6-15/h9-11,16-17,19H,2-8H2,1H3,(H,14,18)/t9-,10+,11-,13+/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate?
[(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate has a molecular weight of 304.34 g/mol, XLogP of -1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-2,3,4-trihydroxy-5-(piperidin-1-ylmethyl)oxolan-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 68959859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).