N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide

C8H13NO4 — CID 130875199

IUPACN-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@](C)(CO)OC1=O
InChIInChI=1S/C8H13NO4/c1-5(11)9-6-3-8(2,4-10)13-7(6)12/h6,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m0/s1
InChIKeyJACLCNGFQVJETO-POYBYMJQSA-N
MW187.19 g/mol
LogP-0.81
Rot. Bonds2

About N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide

N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide (PubChem CID 130875199) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
PubChem CID130875199
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@](C)(CO)OC1=O
InChIInChI=1S/C8H13NO4/c1-5(11)9-6-3-8(2,4-10)13-7(6)12/h6,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m0/s1
InChIKeyJACLCNGFQVJETO-POYBYMJQSA-N
XLogP-0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-6-(1-hydroxyethyl)-2,7,8-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174955
N-(6,6-dimethyl-4-oxooxan-3-yl)acetamide
CID 13182791
N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174760
(2S)-2-acetamido-4-hydroxybutanoic acid;N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 163865606
N-(4-oxooxolan-3-yl)acetamide
CID 123326403
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735
N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-dimethoxy-2-oxooxan-3-yl]acetamide
CID 102328170
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 144805024
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 163892364
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 161407996
3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
CID 139987843
2-(5,5-dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide (CID 130875199) is N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide is CC(=O)N[C@H]1C[C@](C)(CO)OC1=O.
What is the InChIKey of N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide?
The InChIKey is JACLCNGFQVJETO-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(11)9-6-3-8(2,4-10)13-7(6)12/h6,10H,3-4H2,1-2H3,(H,9,11)/t6-,8+/m0/s1.
What are the key properties of N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide?
N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide has a molecular weight of 187.19 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 130875199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).