N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

C10H19NO3 — CID 144967477

IUPACN-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H](C)C(CO)OC1C
InChIInChI=1S/C10H19NO3/c1-6-4-9(11-8(3)13)7(2)14-10(6)5-12/h6-7,9-10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7?,9?,10?/m0/s1
InChIKeyYBEQKCQKZYGSBA-JIQYCGOMSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds2

About N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide

N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (PubChem CID 144967477) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
PubChem CID144967477
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
SMILESCC(=O)NC1C[C@H](C)C(CO)OC1C
InChIInChI=1S/C10H19NO3/c1-6-4-9(11-8(3)13)7(2)14-10(6)5-12/h6-7,9-10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7?,9?,10?/m0/s1
InChIKeyYBEQKCQKZYGSBA-JIQYCGOMSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 130148196
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480
N-[(2R,3R,5S,6R)-2-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydrate
CID 42626587
N-[(2S,3S,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413631
N-[(2S,3R,4R,5S,6S)-4-hydroxy-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 134413629
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-(3-methylbut-2-enyl)oxan-3-yl]-4-hydroxypent-2-enamide
CID 126480989
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]acetamide
CID 13387486
N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
CID 129426674

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide (CID 144967477) is N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is CC(=O)NC1C[C@H](C)C(CO)OC1C.
What is the InChIKey of N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
The InChIKey is YBEQKCQKZYGSBA-JIQYCGOMSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-4-9(11-8(3)13)7(2)14-10(6)5-12/h6-7,9-10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7?,9?,10?/m0/s1.
What are the key properties of N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide?
N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide has a molecular weight of 201.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 144967477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).