5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid

C11H19NO5 — CID 102687639

IUPAC5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCOCCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-2-16-7-3-6-12-10(13)8-4-5-9(17-8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyYDRJQEQFRMSRHN-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.16
Rot. Bonds7

About 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid

5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102687639) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102687639
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCOCCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-2-16-7-3-6-12-10(13)8-4-5-9(17-8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyYDRJQEQFRMSRHN-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 103090704
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688459
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
5-[3-(4-methylpiperidin-1-yl)propylcarbamoyl]oxolane-2-carboxylic acid
CID 102687778

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid (CID 102687639) is 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid is CCOCCCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is YDRJQEQFRMSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-2-16-7-3-6-12-10(13)8-4-5-9(17-8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid?
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102687639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).