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

C13H25NO3 — CID 65236041

IUPACethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OCC)C1CCCOC1
InChIInChI=1S/C13H25NO3/c1-3-7-14-12(9-13(15)17-4-2)11-6-5-8-16-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyYRRLPEATBKIGRN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds7

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

ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate (PubChem CID 65236041) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
PubChem CID65236041
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
SMILESCCCNC(CC(=O)OCC)C1CCCOC1
InChIInChI=1S/C13H25NO3/c1-3-7-14-12(9-13(15)17-4-2)11-6-5-8-16-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyYRRLPEATBKIGRN-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
ethyl (3S)-3-hydroxy-3-[(3S)-oxan-3-yl]propanoate
CID 124508739
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
ethyl 4-chloro-4-(oxan-3-yl)butanoate
CID 103440101
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate?
The IUPAC name of ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate (CID 65236041) is ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate?
The canonical SMILES for ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate is CCCNC(CC(=O)OCC)C1CCCOC1.
What is the InChIKey of ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate?
The InChIKey is YRRLPEATBKIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-7-14-12(9-13(15)17-4-2)11-6-5-8-16-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate?
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate is sourced from PubChem (CID 65236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).