2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid

C9H14O4 — CID 70609064

IUPAC2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid
SMILESCOC[C@@H]1C(CC(=O)O)C=C[C@H]1O
InChIInChI=1S/C9H14O4/c1-13-5-7-6(4-9(11)12)2-3-8(7)10/h2-3,6-8,10H,4-5H2,1H3,(H,11,12)/t6?,7-,8-/m1/s1
InChIKeyZKPHMENMUDVYII-SPDVFEMOSA-N
MW186.21 g/mol
LogP0.27
Rot. Bonds4

About 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid

2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid (PubChem CID 70609064) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid
PubChem CID70609064
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid
SMILESCOC[C@@H]1C(CC(=O)O)C=C[C@H]1O
InChIInChI=1S/C9H14O4/c1-13-5-7-6(4-9(11)12)2-3-8(7)10/h2-3,6-8,10H,4-5H2,1H3,(H,11,12)/t6?,7-,8-/m1/s1
InChIKeyZKPHMENMUDVYII-SPDVFEMOSA-N
XLogP0.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid (CID 70609064) is 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid is COC[C@@H]1C(CC(=O)O)C=C[C@H]1O.
What is the InChIKey of 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid?
The InChIKey is ZKPHMENMUDVYII-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H14O4/c1-13-5-7-6(4-9(11)12)2-3-8(7)10/h2-3,6-8,10H,4-5H2,1H3,(H,11,12)/t6?,7-,8-/m1/s1.
What are the key properties of 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid?
2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid has a molecular weight of 186.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 70609064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).