2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid

C6H8O5 — CID 74432253

IUPAC2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)CO1
InChIInChI=1S/C6H8O5/c1-10-4(7)2-6(3-11-6)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyOVJYQZDEGOKEEU-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.60
Rot. Bonds3

About 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid

2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid (PubChem CID 74432253) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
PubChem CID74432253
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid
SMILESCOC(=O)CC1(C(=O)O)CO1
InChIInChI=1S/C6H8O5/c1-10-4(7)2-6(3-11-6)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyOVJYQZDEGOKEEU-UHFFFAOYSA-N
XLogP-0.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
CID 130129881
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540
CID 172760784
CID 172760784
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-(2-methoxyoxan-2-yl)acetate
CID 10965266
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
methyl 2-[(2R)-2-(trifluoromethyl)morpholin-2-yl]acetate
CID 129451695
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
methyl 2-[(2S)-2-methyl-4-oxooxetan-2-yl]acetate
CID 11019132

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid?
The IUPAC name of 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid (CID 74432253) is 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid is COC(=O)CC1(C(=O)O)CO1.
What is the InChIKey of 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid?
The InChIKey is OVJYQZDEGOKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-10-4(7)2-6(3-11-6)5(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid?
2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-oxoethyl)oxirane-2-carboxylic acid is sourced from PubChem (CID 74432253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).