methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate

C12H23NO4 — CID 62027143

IUPACmethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CC(=O)OCC
InChIInChI=1S/C12H23NO4/c1-4-8-13(10-12(15)17-5-2)9-6-7-11(14)16-3/h4-10H2,1-3H3
InChIKeySBIPYEXSKIDBCM-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds9

About methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate

methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate (PubChem CID 62027143) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
PubChem CID62027143
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CC(=O)OCC
InChIInChI=1S/C12H23NO4/c1-4-8-13(10-12(15)17-5-2)9-6-7-11(14)16-3/h4-10H2,1-3H3
InChIKeySBIPYEXSKIDBCM-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 4-(dihexylamino)butanoate
CID 142540666
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate?
The IUPAC name of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate (CID 62027143) is methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate?
The canonical SMILES for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate is CCCN(CCCC(=O)OC)CC(=O)OCC.
What is the InChIKey of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate?
The InChIKey is SBIPYEXSKIDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-8-13(10-12(15)17-5-2)9-6-7-11(14)16-3/h4-10H2,1-3H3.
What are the key properties of methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate?
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate is sourced from PubChem (CID 62027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).