N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide

C8H15NO4 — CID 13387486

IUPACN-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(O)O[C@@H](C)[C@H]1O
InChIInChI=1S/C8H15NO4/c1-4-8(12)6(9-5(2)10)3-7(11)13-4/h4,6-8,11-12H,3H2,1-2H3,(H,9,10)/t4-,6-,7?,8+/m0/s1
InChIKeyWDMSIBWBBAAFED-QXIKOAFUSA-N
MW189.21 g/mol
LogP-1.02
Rot. Bonds1

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

N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide (PubChem CID 13387486) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
PubChem CID13387486
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC(O)O[C@@H](C)[C@H]1O
InChIInChI=1S/C8H15NO4/c1-4-8(12)6(9-5(2)10)3-7(11)13-4/h4,6-8,11-12H,3H2,1-2H3,(H,9,10)/t4-,6-,7?,8+/m0/s1
InChIKeyWDMSIBWBBAAFED-QXIKOAFUSA-N
XLogP-1.02
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
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

Analyze N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide 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

tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
CID 15344114
N-[(2S,3R,5R)-3,5-dihydroxy-2,6-dimethyloxan-4-yl]acetamide
CID 59828190
(4R,5R,6S)-4-amino-6-methyloxane-2,5-diol;propan-2-one
CID 141350256
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 15143831
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 144967477
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
CID 59985924
CID 59985924
N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide (CID 13387486) is N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide is CC(=O)N[C@H]1CC(O)O[C@@H](C)[C@H]1O.
What is the InChIKey of N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide?
The InChIKey is WDMSIBWBBAAFED-QXIKOAFUSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-8(12)6(9-5(2)10)3-7(11)13-4/h4,6-8,11-12H,3H2,1-2H3,(H,9,10)/t4-,6-,7?,8+/m0/s1.
What are the key properties of N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide?
N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide has a molecular weight of 189.21 g/mol, XLogP of -1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide is sourced from PubChem (CID 13387486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).