5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid

C12H21NO5 — CID 102688859

IUPAC5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(C(=O)C1CCC(C(=O)O)O1)C(C)C
InChIInChI=1S/C12H21NO5/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFQDGVUPRKPNDJH-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.50
Rot. Bonds6

About 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid

5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688859) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688859
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(C(=O)C1CCC(C(=O)O)O1)C(C)C
InChIInChI=1S/C12H21NO5/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFQDGVUPRKPNDJH-UHFFFAOYSA-N
XLogP0.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102688859) is 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid is COCCN(C(=O)C1CCC(C(=O)O)O1)C(C)C.
What is the InChIKey of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is FQDGVUPRKPNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid?
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).