(3R)-3-propyloxirane-2-carboxylic acid

C6H10O3 — CID 54567542

IUPAC(3R)-3-propyloxirane-2-carboxylic acid
SMILESCCC[C@H]1OC1C(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m1/s1
InChIKeyZUXGVGARWYYZKY-CNZKWPKMSA-N
MW130.14 g/mol
LogP0.64
Rot. Bonds3

About (3R)-3-propyloxirane-2-carboxylic acid

(3R)-3-propyloxirane-2-carboxylic acid (PubChem CID 54567542) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-3-propyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-propyloxirane-2-carboxylic acid
PubChem CID54567542
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-3-propyloxirane-2-carboxylic acid
SMILESCCC[C@H]1OC1C(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m1/s1
InChIKeyZUXGVGARWYYZKY-CNZKWPKMSA-N
XLogP0.64
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-propyloxirane-2-carboxylic acid?
The IUPAC name of (3R)-3-propyloxirane-2-carboxylic acid (CID 54567542) is (3R)-3-propyloxirane-2-carboxylic acid.
What is the SMILES notation for (3R)-3-propyloxirane-2-carboxylic acid?
The canonical SMILES for (3R)-3-propyloxirane-2-carboxylic acid is CCC[C@H]1OC1C(=O)O.
What is the InChIKey of (3R)-3-propyloxirane-2-carboxylic acid?
The InChIKey is ZUXGVGARWYYZKY-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-4-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5?/m1/s1.
What are the key properties of (3R)-3-propyloxirane-2-carboxylic acid?
(3R)-3-propyloxirane-2-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propyloxirane-2-carboxylic acid is sourced from PubChem (CID 54567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).