ethyl 3,4-dihydroxycyclopentane-1-carboxylate

C8H14O4 — CID 14476147

IUPACethyl 3,4-dihydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O)C(O)C1
InChIInChI=1S/C8H14O4/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3
InChIKeyNKMWEFJKBGNYQH-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.32
Rot. Bonds2

About ethyl 3,4-dihydroxycyclopentane-1-carboxylate

ethyl 3,4-dihydroxycyclopentane-1-carboxylate (PubChem CID 14476147) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 3,4-dihydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydroxycyclopentane-1-carboxylate
PubChem CID14476147
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl 3,4-dihydroxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(O)C(O)C1
InChIInChI=1S/C8H14O4/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3
InChIKeyNKMWEFJKBGNYQH-UHFFFAOYSA-N
XLogP-0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydroxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 3,4-dihydroxycyclopentane-1-carboxylate (CID 14476147) is ethyl 3,4-dihydroxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydroxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3,4-dihydroxycyclopentane-1-carboxylate is CCOC(=O)C1CC(O)C(O)C1.
What is the InChIKey of ethyl 3,4-dihydroxycyclopentane-1-carboxylate?
The InChIKey is NKMWEFJKBGNYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-12-8(11)5-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3.
What are the key properties of ethyl 3,4-dihydroxycyclopentane-1-carboxylate?
ethyl 3,4-dihydroxycyclopentane-1-carboxylate has a molecular weight of 174.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 14476147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).