2-(3-ethyloxiran-2-yl)acetic acid

C6H10O3 — CID 15219001

IUPAC2-(3-ethyloxiran-2-yl)acetic acid
SMILESCCC1OC1CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-5(9-4)3-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYSFYXWPJNHBADG-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.64
Rot. Bonds3

About 2-(3-ethyloxiran-2-yl)acetic acid

2-(3-ethyloxiran-2-yl)acetic acid (PubChem CID 15219001) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(3-ethyloxiran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyloxiran-2-yl)acetic acid
PubChem CID15219001
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(3-ethyloxiran-2-yl)acetic acid
SMILESCCC1OC1CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-4-5(9-4)3-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYSFYXWPJNHBADG-UHFFFAOYSA-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 2-(3-ethyloxiran-2-yl)acetic acid?
The IUPAC name of 2-(3-ethyloxiran-2-yl)acetic acid (CID 15219001) is 2-(3-ethyloxiran-2-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyloxiran-2-yl)acetic acid?
The canonical SMILES for 2-(3-ethyloxiran-2-yl)acetic acid is CCC1OC1CC(=O)O.
What is the InChIKey of 2-(3-ethyloxiran-2-yl)acetic acid?
The InChIKey is YSFYXWPJNHBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-4-5(9-4)3-6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(3-ethyloxiran-2-yl)acetic acid?
2-(3-ethyloxiran-2-yl)acetic 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 2-(3-ethyloxiran-2-yl)acetic acid is sourced from PubChem (CID 15219001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).