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

C8H15NO4 — CID 174146683

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

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

N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide (PubChem CID 174146683) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
PubChem CID174146683
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)CC(C)O[C@H]1O
InChIInChI=1S/C8H15NO4/c1-4-3-6(11)7(8(12)13-4)9-5(2)10/h4,6-8,11-12H,3H2,1-2H3,(H,9,10)/t4?,6?,7-,8+/m0/s1
InChIKeyKLUMGUDEXWNEAO-NYLZCSOASA-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

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Related Compounds

N-[(2R)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 174146689
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-[(2S,3R,4S,6S)-4-hydroxy-6-methoxy-2-methyloxan-3-yl]acetamide
CID 130754519
[(4R)-5-acetamido-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate
CID 88533117
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 130787844
N-(2,4-dihydroxy-6-methyl-5-oxooxan-3-yl)acetamide
CID 91847162
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide (CID 174146683) is N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide is CC(=O)N[C@H]1C(O)CC(C)O[C@H]1O.
What is the InChIKey of N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
The InChIKey is KLUMGUDEXWNEAO-NYLZCSOASA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-3-6(11)7(8(12)13-4)9-5(2)10/h4,6-8,11-12H,3H2,1-2H3,(H,9,10)/t4?,6?,7-,8+/m0/s1.
What are the key properties of N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide?
N-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-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-[(2R,3S)-2,4-dihydroxy-6-methyloxan-3-yl]acetamide is sourced from PubChem (CID 174146683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).