5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate

C11H18NO7- — CID 59533637

IUPAC5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
SMILESCOCC1OC(C(=O)[O-])C(OC)C(O)C1NC(C)=O
InChIInChI=1S/C11H19NO7/c1-5(13)12-7-6(4-17-2)19-10(11(15)16)9(18-3)8(7)14/h6-10,14H,4H2,1-3H3,(H,12,13)(H,15,16)/p-1
InChIKeyNZEJBTIBOOZPGJ-UHFFFAOYSA-M
MW276.27 g/mol
LogP-2.97
Rot. Bonds5

About 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate

5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate (PubChem CID 59533637) has the molecular formula C11H18NO7- and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
PubChem CID59533637
Molecular FormulaC11H18NO7-
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
SMILESCOCC1OC(C(=O)[O-])C(OC)C(O)C1NC(C)=O
InChIInChI=1S/C11H19NO7/c1-5(13)12-7-6(4-17-2)19-10(11(15)16)9(18-3)8(7)14/h6-10,14H,4H2,1-3H3,(H,12,13)(H,15,16)/p-1
InChIKeyNZEJBTIBOOZPGJ-UHFFFAOYSA-M
XLogP-2.97
TPSA117.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-2.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134
6-(3-acetamido-5-hydroxy-2,6-dimethyloxan-4-yl)oxy-4-hydroxy-3,5-dimethoxyoxane-2-carboxylate;yttrium
CID 59089842
sodium (3S)-3-[(2S,4R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxane-2-carboxylate
CID 59435948
N-[(2S,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
CID 23380361
[(2R,3R,4R,5R,6R)-5-acetamido-6-acetyloxy-4-methoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 102239937
6-[(6R)-5-acetamido-2-[2-[(1S)-1-carboxyethyl]pentanoyloxymethyl]-3-hydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate
CID 140598022
disodium;(3S,4S,6R)-6-[(2S,4R,5S)-3-acetamido-5-hydroxy-2-methoxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
CID 140602213
N-[(2S,3R,4R,5S,6R)-2,4-dimethoxy-6-(methoxymethyl)-5-trimethylsilyloxyoxan-3-yl]acetamide
CID 22216013
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
(2R,3R,5R)-5-[(2R,4R,5R)-3-acetamido-5-hydroxy-2-methoxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-2-methoxycyclohexane-1-carboxylate
CID 90992439
(2S,3S,4R,5S,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylate
CID 154586187
N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 156616950

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate?
The IUPAC name of 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate (CID 59533637) is 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate.
What is the SMILES notation for 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate?
The canonical SMILES for 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate is COCC1OC(C(=O)[O-])C(OC)C(O)C1NC(C)=O.
What is the InChIKey of 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate?
The InChIKey is NZEJBTIBOOZPGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO7/c1-5(13)12-7-6(4-17-2)19-10(11(15)16)9(18-3)8(7)14/h6-10,14H,4H2,1-3H3,(H,12,13)(H,15,16)/p-1.
What are the key properties of 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate?
5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate has a molecular weight of 276.27 g/mol, XLogP of -2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate is sourced from PubChem (CID 59533637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).