4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid

C9H12O5 — CID 59165430

IUPAC4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid
SMILESCOC(=O)C1=C(C)C(O)CC1C(=O)O
InChIInChI=1S/C9H12O5/c1-4-6(10)3-5(8(11)12)7(4)9(13)14-2/h5-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyXJQCVPPOMSXIRT-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.06
Rot. Bonds2

About 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid

4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid (PubChem CID 59165430) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid
PubChem CID59165430
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid
SMILESCOC(=O)C1=C(C)C(O)CC1C(=O)O
InChIInChI=1S/C9H12O5/c1-4-6(10)3-5(8(11)12)7(4)9(13)14-2/h5-6,10H,3H2,1-2H3,(H,11,12)
InChIKeyXJQCVPPOMSXIRT-UHFFFAOYSA-N
XLogP-0.06
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid (CID 59165430) is 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid is COC(=O)C1=C(C)C(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid?
The InChIKey is XJQCVPPOMSXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-6(10)3-5(8(11)12)7(4)9(13)14-2/h5-6,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid?
4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methoxycarbonyl-3-methylcyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 59165430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).