5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid

C11H17NO5 — CID 102687708

IUPAC5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CCO)C2CC2)O1
InChIInChI=1S/C11H17NO5/c13-6-5-12(7-1-2-7)10(14)8-3-4-9(17-8)11(15)16/h7-9,13H,1-6H2,(H,15,16)
InChIKeyWGSIIRUYEHNWSD-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.40
Rot. Bonds5

About 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid

5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687708) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687708
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N(CCO)C2CC2)O1
InChIInChI=1S/C11H17NO5/c13-6-5-12(7-1-2-7)10(14)8-3-4-9(17-8)11(15)16/h7-9,13H,1-6H2,(H,15,16)
InChIKeyWGSIIRUYEHNWSD-UHFFFAOYSA-N
XLogP-0.40
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687708) is 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)N(CCO)C2CC2)O1.
What is the InChIKey of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is WGSIIRUYEHNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-6-5-12(7-1-2-7)10(14)8-3-4-9(17-8)11(15)16/h7-9,13H,1-6H2,(H,15,16).
What are the key properties of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid?
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).