2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate

C10H20N2O6 — CID 118911802

IUPAC2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C10H20N2O6/c1-11-10(17)18-3-2-12-4-7(14)9(16)8(15)6(12)5-13/h6-9,13-16H,2-5H2,1H3,(H,11,17)/t6-,7+,8-,9-/m1/s1
InChIKeyWSZUHBMENPXDLE-BZNPZCIMSA-N
MW264.28 g/mol
LogP-2.90
Rot. Bonds4

About 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate

2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate (PubChem CID 118911802) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate
PubChem CID118911802
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Name2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C10H20N2O6/c1-11-10(17)18-3-2-12-4-7(14)9(16)8(15)6(12)5-13/h6-9,13-16H,2-5H2,1H3,(H,11,17)/t6-,7+,8-,9-/m1/s1
InChIKeyWSZUHBMENPXDLE-BZNPZCIMSA-N
XLogP-2.90
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-2.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate (CID 118911802) is 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate is CNC(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate?
The InChIKey is WSZUHBMENPXDLE-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H20N2O6/c1-11-10(17)18-3-2-12-4-7(14)9(16)8(15)6(12)5-13/h6-9,13-16H,2-5H2,1H3,(H,11,17)/t6-,7+,8-,9-/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate?
2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate has a molecular weight of 264.28 g/mol, XLogP of -2.90, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 118911802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).