ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate

C13H25NO4 — CID 10515446

IUPACethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)OCC)CC(C)C
InChIInChI=1S/C13H25NO4/c1-5-17-12(15)7-8-14(9-11(3)4)10-13(16)18-6-2/h11H,5-10H2,1-4H3
InChIKeyBSDCZDIQDVNLRE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.46
Rot. Bonds9

About ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate

ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate (PubChem CID 10515446) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
PubChem CID10515446
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)OCC)CC(C)C
InChIInChI=1S/C13H25NO4/c1-5-17-12(15)7-8-14(9-11(3)4)10-13(16)18-6-2/h11H,5-10H2,1-4H3
InChIKeyBSDCZDIQDVNLRE-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 3-[2-fluoropropyl(methyl)amino]propanoate
CID 44521775
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 3-[amino(butan-2-yl)amino]propanoate
CID 156543048
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[methylsulfanyl(propan-2-yl)amino]propanoate
CID 59018172

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate (CID 10515446) is ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate is CCOC(=O)CCN(CC(=O)OCC)CC(C)C.
What is the InChIKey of ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is BSDCZDIQDVNLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-17-12(15)7-8-14(9-11(3)4)10-13(16)18-6-2/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 259.35 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 10515446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).