ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate

C12H23NO3 — CID 65235685

IUPACethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OCC)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-6-13-11(8-12(14)16-4-2)10-5-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyMCFCWVSICXDLEN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds7

About ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate

ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate (PubChem CID 65235685) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
PubChem CID65235685
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OCC)C1CCOC1
InChIInChI=1S/C12H23NO3/c1-3-6-13-11(8-12(14)16-4-2)10-5-7-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyMCFCWVSICXDLEN-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
CID 65235068
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate?
The IUPAC name of ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate (CID 65235685) is ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate?
The canonical SMILES for ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate is CCCNC(CC(=O)OCC)C1CCOC1.
What is the InChIKey of ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate?
The InChIKey is MCFCWVSICXDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-6-13-11(8-12(14)16-4-2)10-5-7-15-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate?
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate is sourced from PubChem (CID 65235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).