5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid

C14H23NO6 — CID 70206901

IUPAC5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid
SMILESCCCC(CNC(C)=O)C1OC(C(=O)O)CC1C(=O)OC
InChIInChI=1S/C14H23NO6/c1-4-5-9(7-15-8(2)16)12-10(14(19)20-3)6-11(21-12)13(17)18/h9-12H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNZZALFKGGPBFPK-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.57
Rot. Bonds7

About 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid

5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid (PubChem CID 70206901) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid
PubChem CID70206901
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid
SMILESCCCC(CNC(C)=O)C1OC(C(=O)O)CC1C(=O)OC
InChIInChI=1S/C14H23NO6/c1-4-5-9(7-15-8(2)16)12-10(14(19)20-3)6-11(21-12)13(17)18/h9-12H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNZZALFKGGPBFPK-UHFFFAOYSA-N
XLogP0.57
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The IUPAC name of 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid (CID 70206901) is 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The canonical SMILES for 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid is CCCC(CNC(C)=O)C1OC(C(=O)O)CC1C(=O)OC.
What is the InChIKey of 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid?
The InChIKey is NZZALFKGGPBFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-4-5-9(7-15-8(2)16)12-10(14(19)20-3)6-11(21-12)13(17)18/h9-12H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid?
5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid is sourced from PubChem (CID 70206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).