N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H15NO4 — CID 131207372

IUPACN-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-5(11)9-7-3-2-6(4-10)13-8(7)12/h6-8,10,12H,2-4H2,1H3,(H,9,11)/t6-,7+,8-/m0/s1
InChIKeyANVIVNNVGFGYQX-RNJXMRFFSA-N
MW189.21 g/mol
LogP-1.02
Rot. Bonds2

About N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 131207372) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID131207372
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-5(11)9-7-3-2-6(4-10)13-8(7)12/h6-8,10,12H,2-4H2,1H3,(H,9,11)/t6-,7+,8-/m0/s1
InChIKeyANVIVNNVGFGYQX-RNJXMRFFSA-N
XLogP-1.02
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 14865842
N-[(2R,3S,4S,6S)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 129406201
N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 21304144
N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
6-(hydroxymethyl)oxane-2,3-diol
CID 22415851
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
CID 143037549
N-[2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639273
N-[2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
CID 54639270
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
N-[2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclobutanecarboxamide
CID 54645451
N-[2-hydroxy-5-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986328
N-[(3R,5S)-2-hydroxy-5-[(2S,4S,6S)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 166986247

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 131207372) is N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](CO)O[C@@H]1O.
What is the InChIKey of N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is ANVIVNNVGFGYQX-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(11)9-7-3-2-6(4-10)13-8(7)12/h6-8,10,12H,2-4H2,1H3,(H,9,11)/t6-,7+,8-/m0/s1.
What are the key properties of N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 189.21 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 131207372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).