2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid

C13H20O5 — CID 22797022

IUPAC2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@H]1C(COC2CCCCO2)=CC[C@H]1O
InChIInChI=1S/C13H20O5/c14-11-5-4-9(10(11)7-12(15)16)8-18-13-3-1-2-6-17-13/h4,10-11,13-14H,1-3,5-8H2,(H,15,16)/t10-,11+,13?/m0/s1
InChIKeyILUXDSICXQQDCR-VUDPYIQVSA-N
MW256.30 g/mol
LogP1.31
Rot. Bonds5

About 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid

2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid (PubChem CID 22797022) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid
PubChem CID22797022
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@H]1C(COC2CCCCO2)=CC[C@H]1O
InChIInChI=1S/C13H20O5/c14-11-5-4-9(10(11)7-12(15)16)8-18-13-3-1-2-6-17-13/h4,10-11,13-14H,1-3,5-8H2,(H,15,16)/t10-,11+,13?/m0/s1
InChIKeyILUXDSICXQQDCR-VUDPYIQVSA-N
XLogP1.31
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid with MolForge

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Related Compounds

[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
2-[2-hydroxy-3-iodo-4-(oxan-2-yloxy)-5-(phenylmethoxymethyl)cyclopentyl]acetic acid
CID 21497782
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid (CID 22797022) is 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid is O=C(O)C[C@H]1C(COC2CCCCO2)=CC[C@H]1O.
What is the InChIKey of 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid?
The InChIKey is ILUXDSICXQQDCR-VUDPYIQVSA-N. The full InChI is InChI=1S/C13H20O5/c14-11-5-4-9(10(11)7-12(15)16)8-18-13-3-1-2-6-17-13/h4,10-11,13-14H,1-3,5-8H2,(H,15,16)/t10-,11+,13?/m0/s1.
What are the key properties of 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid?
2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 22797022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).