ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate

C11H22N2O3 — CID 62326480

IUPACethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
SMILESCCNC(=O)CCN(C)CCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-4-12-10(14)6-8-13(3)9-7-11(15)16-5-2/h4-9H2,1-3H3,(H,12,14)
InChIKeyWWBIAZTYDQRJAK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds8

About ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate

ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate (PubChem CID 62326480) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
PubChem CID62326480
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
SMILESCCNC(=O)CCN(C)CCC(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-4-12-10(14)6-8-13(3)9-7-11(15)16-5-2/h4-9H2,1-3H3,(H,12,14)
InChIKeyWWBIAZTYDQRJAK-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
N-ethyl-3-[methyl(propan-2-yl)amino]propanamide
CID 163565959
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-[hydroxy(oxido)amino]propanoate
CID 163126069
N-ethylpropanamide;ethyl propanoate
CID 90984827
ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
CID 60683876
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
3-[di(propanoyl)amino]-N-ethylpropanamide
CID 156628705
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
ethyl 3-[acetyl(dimethylamino)amino]propanoate
CID 3024684

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate (CID 62326480) is ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate is CCNC(=O)CCN(C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate?
The InChIKey is WWBIAZTYDQRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12-10(14)6-8-13(3)9-7-11(15)16-5-2/h4-9H2,1-3H3,(H,12,14).
What are the key properties of ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate?
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate is sourced from PubChem (CID 62326480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).