2-[(2R)-oxiran-2-yl]propanoic acid

C5H8O3 — CID 54126922

IUPAC2-[(2R)-oxiran-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1CO1
InChIInChI=1S/C5H8O3/c1-3(5(6)7)4-2-8-4/h3-4H,2H2,1H3,(H,6,7)/t3?,4-/m0/s1
InChIKeyNRPQYYMJRXHOMR-BKLSDQPFSA-N
MW116.12 g/mol
LogP0.11
Rot. Bonds2

About 2-[(2R)-oxiran-2-yl]propanoic acid

2-[(2R)-oxiran-2-yl]propanoic acid (PubChem CID 54126922) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-[(2R)-oxiran-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2R)-oxiran-2-yl]propanoic acid
PubChem CID54126922
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-[(2R)-oxiran-2-yl]propanoic acid
SMILESCC(C(=O)O)[C@@H]1CO1
InChIInChI=1S/C5H8O3/c1-3(5(6)7)4-2-8-4/h3-4H,2H2,1H3,(H,6,7)/t3?,4-/m0/s1
InChIKeyNRPQYYMJRXHOMR-BKLSDQPFSA-N
XLogP0.11
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.11
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-[(2R)-oxiran-2-yl]propanoic acid?
The IUPAC name of 2-[(2R)-oxiran-2-yl]propanoic acid (CID 54126922) is 2-[(2R)-oxiran-2-yl]propanoic acid.
What is the SMILES notation for 2-[(2R)-oxiran-2-yl]propanoic acid?
The canonical SMILES for 2-[(2R)-oxiran-2-yl]propanoic acid is CC(C(=O)O)[C@@H]1CO1.
What is the InChIKey of 2-[(2R)-oxiran-2-yl]propanoic acid?
The InChIKey is NRPQYYMJRXHOMR-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H8O3/c1-3(5(6)7)4-2-8-4/h3-4H,2H2,1H3,(H,6,7)/t3?,4-/m0/s1.
What are the key properties of 2-[(2R)-oxiran-2-yl]propanoic acid?
2-[(2R)-oxiran-2-yl]propanoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxiran-2-yl]propanoic acid is sourced from PubChem (CID 54126922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).