N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide

C8H13NO3 — CID 24992903

IUPACN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C8H13NO3/c1-4-5(2)12-8(11)7(4)9-6(3)10/h4-5,7H,1-3H3,(H,9,10)/t4-,5-,7-/m0/s1
InChIKeyZPMSJPDTFABBSV-VPLCAKHXSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds1

About N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide

N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide (PubChem CID 24992903) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide
PubChem CID24992903
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C8H13NO3/c1-4-5(2)12-8(11)7(4)9-6(3)10/h4-5,7H,1-3H3,(H,9,10)/t4-,5-,7-/m0/s1
InChIKeyZPMSJPDTFABBSV-VPLCAKHXSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The IUPAC name of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide (CID 24992903) is N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)O[C@@H](C)[C@@H]1C.
What is the InChIKey of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide?
The InChIKey is ZPMSJPDTFABBSV-VPLCAKHXSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-5(2)12-8(11)7(4)9-6(3)10/h4-5,7H,1-3H3,(H,9,10)/t4-,5-,7-/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide?
N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide has a molecular weight of 171.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 24992903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).