4-acetamido-3-methyloxolane-3-carboxylic acid

C8H13NO4 — CID 66256805

IUPAC4-acetamido-3-methyloxolane-3-carboxylic acid
SMILESCC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-6-3-13-4-8(6,2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyBURJKCVBQOXSLG-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.39
Rot. Bonds2

About 4-acetamido-3-methyloxolane-3-carboxylic acid

4-acetamido-3-methyloxolane-3-carboxylic acid (PubChem CID 66256805) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-acetamido-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-methyloxolane-3-carboxylic acid
PubChem CID66256805
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-acetamido-3-methyloxolane-3-carboxylic acid
SMILESCC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-6-3-13-4-8(6,2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyBURJKCVBQOXSLG-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-acetamido-3-methyloxolane-3-carboxylic acid (CID 66256805) is 4-acetamido-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-acetamido-3-methyloxolane-3-carboxylic acid is CC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-acetamido-3-methyloxolane-3-carboxylic acid?
The InChIKey is BURJKCVBQOXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)9-6-3-13-4-8(6,2)7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 4-acetamido-3-methyloxolane-3-carboxylic acid?
4-acetamido-3-methyloxolane-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66256805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).