ethyl 3-[(3R)-oxolan-3-yl]propanoate

C9H16O3 — CID 86314190

IUPACethyl 3-[(3R)-oxolan-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCOC1
InChIInChI=1S/C9H16O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNKROAULOSXRIHW-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.37
Rot. Bonds4

About ethyl 3-[(3R)-oxolan-3-yl]propanoate

ethyl 3-[(3R)-oxolan-3-yl]propanoate (PubChem CID 86314190) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 3-[(3R)-oxolan-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3R)-oxolan-3-yl]propanoate
PubChem CID86314190
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 3-[(3R)-oxolan-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCOC1
InChIInChI=1S/C9H16O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyNKROAULOSXRIHW-MRVPVSSYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 2-[2-(oxolan-3-yl)ethylamino]acetate
CID 107095448
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
methyl 3-(oxan-4-yl)propanoate
CID 55296577
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119642266
oxolan-3-ylmethyl 3-(ethylamino)propanoate
CID 62329002
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
ethyl 4-[2-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103878953
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3R)-oxolan-3-yl]propanoate?
The IUPAC name of ethyl 3-[(3R)-oxolan-3-yl]propanoate (CID 86314190) is ethyl 3-[(3R)-oxolan-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[(3R)-oxolan-3-yl]propanoate?
The canonical SMILES for ethyl 3-[(3R)-oxolan-3-yl]propanoate is CCOC(=O)CC[C@@H]1CCOC1.
What is the InChIKey of ethyl 3-[(3R)-oxolan-3-yl]propanoate?
The InChIKey is NKROAULOSXRIHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(10)4-3-8-5-6-11-7-8/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of ethyl 3-[(3R)-oxolan-3-yl]propanoate?
ethyl 3-[(3R)-oxolan-3-yl]propanoate has a molecular weight of 172.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3R)-oxolan-3-yl]propanoate is sourced from PubChem (CID 86314190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).