2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid

C11H14O5 — CID 134270794

IUPAC2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid
SMILESO=C(O)CC1OC1C1CC(=O)CC[C@]12CO2
InChIInChI=1S/C11H14O5/c12-6-1-2-11(5-15-11)7(3-6)10-8(16-10)4-9(13)14/h7-8,10H,1-5H2,(H,13,14)/t7?,8?,10?,11-/m0/s1
InChIKeyOSFPPQNUNBZXTJ-BYTLDJTHSA-N
MW226.23 g/mol
LogP0.37
Rot. Bonds3

About 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid

2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid (PubChem CID 134270794) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid
PubChem CID134270794
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid
SMILESO=C(O)CC1OC1C1CC(=O)CC[C@]12CO2
InChIInChI=1S/C11H14O5/c12-6-1-2-11(5-15-11)7(3-6)10-8(16-10)4-9(13)14/h7-8,10H,1-5H2,(H,13,14)/t7?,8?,10?,11-/m0/s1
InChIKeyOSFPPQNUNBZXTJ-BYTLDJTHSA-N
XLogP0.37
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(2-cyclopentylideneethyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 134270891
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
(E)-4-methoxy-4-(6-oxo-1-oxaspiro[2.5]octan-4-yl)but-2-enal
CID 134270812
(3R,4S,5S)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one;bis(2-[(2R,3R)-3-[(3R,4S,5S)-5-methoxy-6-oxo-1-oxaspiro[2.5]octan-4-yl]-3-methyloxiran-2-yl]acetic acid)
CID 160814629
cis-(3S,4R)-4-acetyl-3-ethyl-4-methylcyclohexan-1-one
CID 142378260
(3R,3aR,6R,6aR,9R,9aS,9bR)-3-hydroxy-3,9-bis(hydroxymethyl)spiro[4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-2-one
CID 102150894
(3R,4R,5S)-4-hydroxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
CID 88928744
2-(5-oxaspiro[2.5]octan-6-yl)acetic acid
CID 131585960
2-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]acetic acid
CID 15343953
2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
CID 71410124
2-(5-methyl-2-oxo-1,3-dioxolan-4-yl)acetic acid
CID 54244511

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid?
The IUPAC name of 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid (CID 134270794) is 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid?
The canonical SMILES for 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid is O=C(O)CC1OC1C1CC(=O)CC[C@]12CO2.
What is the InChIKey of 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid?
The InChIKey is OSFPPQNUNBZXTJ-BYTLDJTHSA-N. The full InChI is InChI=1S/C11H14O5/c12-6-1-2-11(5-15-11)7(3-6)10-8(16-10)4-9(13)14/h7-8,10H,1-5H2,(H,13,14)/t7?,8?,10?,11-/m0/s1.
What are the key properties of 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid?
2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-6-oxo-1-oxaspiro[2.5]octan-4-yl]oxiran-2-yl]acetic acid is sourced from PubChem (CID 134270794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).