5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid

C14H23NO6 — CID 18669526

IUPAC5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)OC1C(CC(C)C)NC(C)=O
InChIInChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyMUJPWSPVNZGJOW-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.57
Rot. Bonds6

About 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid

5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid (PubChem CID 18669526) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid
PubChem CID18669526
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)OC1C(CC(C)C)NC(C)=O
InChIInChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyMUJPWSPVNZGJOW-UHFFFAOYSA-N
XLogP0.57
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The IUPAC name of 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid (CID 18669526) is 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The canonical SMILES for 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid is COC(=O)C1CC(C(=O)O)OC1C(CC(C)C)NC(C)=O.
What is the InChIKey of 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The InChIKey is MUJPWSPVNZGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid?
5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid is sourced from PubChem (CID 18669526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).