ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate

C14H27NO3 — CID 65166215

IUPACethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
SMILESCCCN(CCCC1CCCO1)CC(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-9-15(12-14(16)17-4-2)10-5-7-13-8-6-11-18-13/h13H,3-12H2,1-2H3
InChIKeyHFOGTXJNKAMSDF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.22
Rot. Bonds9

About ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate

ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate (PubChem CID 65166215) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
PubChem CID65166215
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
SMILESCCCN(CCCC1CCCO1)CC(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-9-15(12-14(16)17-4-2)10-5-7-13-8-6-11-18-13/h13H,3-12H2,1-2H3
InChIKeyHFOGTXJNKAMSDF-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 107440629
3-[(2S)-oxolan-2-yl]propyl octanoate
CID 98092335
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
propyl 4-(oxan-2-yl)butanoate
CID 142409064
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate
CID 61238525
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate?
The IUPAC name of ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate (CID 65166215) is ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate is CCCN(CCCC1CCCO1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate?
The InChIKey is HFOGTXJNKAMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-9-15(12-14(16)17-4-2)10-5-7-13-8-6-11-18-13/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate?
ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(oxolan-2-yl)propyl-propylamino]acetate is sourced from PubChem (CID 65166215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).