ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate

C14H27NO4 — CID 169006437

IUPACethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate
SMILESCCCCN(CCC(=O)OCC)CCC1OCCO1
InChIInChI=1S/C14H27NO4/c1-3-5-8-15(9-6-13(16)17-4-2)10-7-14-18-11-12-19-14/h14H,3-12H2,1-2H3
InChIKeyHUUCVJLXKRAYEB-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.80
Rot. Bonds10

About ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate

ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate (PubChem CID 169006437) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate
PubChem CID169006437
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate
SMILESCCCCN(CCC(=O)OCC)CCC1OCCO1
InChIInChI=1S/C14H27NO4/c1-3-5-8-15(9-6-13(16)17-4-2)10-7-14-18-11-12-19-14/h14H,3-12H2,1-2H3
InChIKeyHUUCVJLXKRAYEB-UHFFFAOYSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
ethyl 3-[butyl(hydroxy)amino]propanoate
CID 89001545
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
CID 130729657

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate?
The IUPAC name of ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate (CID 169006437) is ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate?
The canonical SMILES for ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate is CCCCN(CCC(=O)OCC)CCC1OCCO1.
What is the InChIKey of ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate?
The InChIKey is HUUCVJLXKRAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-5-8-15(9-6-13(16)17-4-2)10-7-14-18-11-12-19-14/h14H,3-12H2,1-2H3.
What are the key properties of ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate?
ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate is sourced from PubChem (CID 169006437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).