ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate

C9H14O4 — CID 13482645

IUPACethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CCC(=O)O1
InChIInChI=1S/C9H14O4/c1-2-12-8(10)5-3-7-4-6-9(11)13-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyKUKNMYNDDJSCRX-ZETCQYMHSA-N
MW186.21 g/mol
LogP1.04
Rot. Bonds4

About ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate

ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate (PubChem CID 13482645) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
PubChem CID13482645
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CCC(=O)O1
InChIInChI=1S/C9H14O4/c1-2-12-8(10)5-3-7-4-6-9(11)13-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyKUKNMYNDDJSCRX-ZETCQYMHSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
3-(5-oxooxolan-2-yl)propanoyl chloride
CID 14084427
ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
CID 21037703
ethyl 3-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 129390994
(5R)-5-butyloxolan-2-one
CID 7057971
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
5-octyloxolan-2-one
CID 16821
(5S)-5-tridecyloxolan-2-one
CID 11065462
(5S)-5-pentacosyloxolan-2-one
CID 11102176
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
ethyl 3-[(2S,4R)-2-phenyl-1,3-dioxan-4-yl]propanoate
CID 53306704
ethyl 3-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]propanoate
CID 98060061

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate?
The IUPAC name of ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate (CID 13482645) is ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate is CCOC(=O)CC[C@H]1CCC(=O)O1.
What is the InChIKey of ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate?
The InChIKey is KUKNMYNDDJSCRX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-12-8(10)5-3-7-4-6-9(11)13-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate?
ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate has a molecular weight of 186.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate is sourced from PubChem (CID 13482645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).