(2R,3R)-3-methoxyoxirane-2-carboxylic acid

C4H6O4 — CID 18643480

IUPAC(2R,3R)-3-methoxyoxirane-2-carboxylic acid
SMILESCO[C@@H]1O[C@H]1C(=O)O
InChIInChI=1S/C4H6O4/c1-7-4-2(8-4)3(5)6/h2,4H,1H3,(H,5,6)/t2-,4+/m0/s1
InChIKeyNLNQYMNLHNVYSO-ZAFYKAAXSA-N
MW118.09 g/mol
LogP-0.56
Rot. Bonds2

About (2R,3R)-3-methoxyoxirane-2-carboxylic acid

(2R,3R)-3-methoxyoxirane-2-carboxylic acid (PubChem CID 18643480) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is (2R,3R)-3-methoxyoxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-methoxyoxirane-2-carboxylic acid
PubChem CID18643480
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name(2R,3R)-3-methoxyoxirane-2-carboxylic acid
SMILESCO[C@@H]1O[C@H]1C(=O)O
InChIInChI=1S/C4H6O4/c1-7-4-2(8-4)3(5)6/h2,4H,1H3,(H,5,6)/t2-,4+/m0/s1
InChIKeyNLNQYMNLHNVYSO-ZAFYKAAXSA-N
XLogP-0.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,3R)-3-methoxyoxirane-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-methoxyoxirane-2-carboxylic acid (CID 18643480) is (2R,3R)-3-methoxyoxirane-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-methoxyoxirane-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-methoxyoxirane-2-carboxylic acid is CO[C@@H]1O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-methoxyoxirane-2-carboxylic acid?
The InChIKey is NLNQYMNLHNVYSO-ZAFYKAAXSA-N. The full InChI is InChI=1S/C4H6O4/c1-7-4-2(8-4)3(5)6/h2,4H,1H3,(H,5,6)/t2-,4+/m0/s1.
What are the key properties of (2R,3R)-3-methoxyoxirane-2-carboxylic acid?
(2R,3R)-3-methoxyoxirane-2-carboxylic acid has a molecular weight of 118.09 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxyoxirane-2-carboxylic acid is sourced from PubChem (CID 18643480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).