ethyl 4-[methyl(propyl)amino]butanoate

C10H21NO2 — CID 164991829

IUPACethyl 4-[methyl(propyl)amino]butanoate
SMILESCCCN(C)CCCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4-9H2,1-3H3
InChIKeyFYHCBXDVIHIONF-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About ethyl 4-[methyl(propyl)amino]butanoate

ethyl 4-[methyl(propyl)amino]butanoate (PubChem CID 164991829) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 4-[methyl(propyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(propyl)amino]butanoate
PubChem CID164991829
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 4-[methyl(propyl)amino]butanoate
SMILESCCCN(C)CCCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4-9H2,1-3H3
InChIKeyFYHCBXDVIHIONF-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
diethyl hexanedioate
CID 160747628
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 7-(dimethylamino)heptanoate
CID 170069476
diethyl icosanedioate
CID 5058538
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 5-[methyl(oxido)amino]pentanoate
CID 163754429
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(propyl)amino]butanoate?
The IUPAC name of ethyl 4-[methyl(propyl)amino]butanoate (CID 164991829) is ethyl 4-[methyl(propyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[methyl(propyl)amino]butanoate?
The canonical SMILES for ethyl 4-[methyl(propyl)amino]butanoate is CCCN(C)CCCC(=O)OCC.
What is the InChIKey of ethyl 4-[methyl(propyl)amino]butanoate?
The InChIKey is FYHCBXDVIHIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4-9H2,1-3H3.
What are the key properties of ethyl 4-[methyl(propyl)amino]butanoate?
ethyl 4-[methyl(propyl)amino]butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(propyl)amino]butanoate is sourced from PubChem (CID 164991829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).