3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid

C9H10O7 — CID 5187588

IUPAC3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid
SMILESO=C(O)CCC(=O)C1CC(=O)OC1C(=O)O
InChIInChI=1S/C9H10O7/c10-5(1-2-6(11)12)4-3-7(13)16-8(4)9(14)15/h4,8H,1-3H2,(H,11,12)(H,14,15)
InChIKeyJGJUGKNIPHXUCH-UHFFFAOYSA-N
MW230.17 g/mol
LogP-0.56
Rot. Bonds5

About 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid

3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid (PubChem CID 5187588) has the molecular formula C9H10O7 and a molecular weight of 230.17 g/mol. Its IUPAC name is 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid
PubChem CID5187588
Molecular FormulaC9H10O7
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Name3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid
SMILESO=C(O)CCC(=O)C1CC(=O)OC1C(=O)O
InChIInChI=1S/C9H10O7/c10-5(1-2-6(11)12)4-3-7(13)16-8(4)9(14)15/h4,8H,1-3H2,(H,11,12)(H,14,15)
InChIKeyJGJUGKNIPHXUCH-UHFFFAOYSA-N
XLogP-0.56
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid (CID 5187588) is 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid is O=C(O)CCC(=O)C1CC(=O)OC1C(=O)O.
What is the InChIKey of 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid?
The InChIKey is JGJUGKNIPHXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O7/c10-5(1-2-6(11)12)4-3-7(13)16-8(4)9(14)15/h4,8H,1-3H2,(H,11,12)(H,14,15).
What are the key properties of 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid?
3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid has a molecular weight of 230.17 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxypropanoyl)-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 5187588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).