methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate

C10H16O4 — CID 155536107

IUPACmethyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@@H](O)[C@@H]1CCO
InChIInChI=1S/C10H16O4/c1-6-5-8(12)7(3-4-11)9(6)10(13)14-2/h7-8,11-12H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyPSWSSFDUZYCUIL-JGVFFNPUSA-N
MW200.23 g/mol
LogP0.24
Rot. Bonds3

About methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate

methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate (PubChem CID 155536107) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate
PubChem CID155536107
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)C[C@@H](O)[C@@H]1CCO
InChIInChI=1S/C10H16O4/c1-6-5-8(12)7(3-4-11)9(6)10(13)14-2/h7-8,11-12H,3-5H2,1-2H3/t7-,8+/m0/s1
InChIKeyPSWSSFDUZYCUIL-JGVFFNPUSA-N
XLogP0.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate (CID 155536107) is methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate is COC(=O)C1=C(C)C[C@@H](O)[C@@H]1CCO.
What is the InChIKey of methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate?
The InChIKey is PSWSSFDUZYCUIL-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-5-8(12)7(3-4-11)9(6)10(13)14-2/h7-8,11-12H,3-5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate?
methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4-hydroxy-5-(2-hydroxyethyl)-2-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 155536107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).