ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate

C15H32N2O2 — CID 63055201

IUPACethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CCC(C)C)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-6-10-16-14(15(18)19-7-2)9-12-17(5)11-8-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyAUERUPCGXMAXPV-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.29
Rot. Bonds11

About ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate

ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate (PubChem CID 63055201) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
PubChem CID63055201
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CCC(C)C)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-6-10-16-14(15(18)19-7-2)9-12-17(5)11-8-13(3)4/h13-14,16H,6-12H2,1-5H3
InChIKeyAUERUPCGXMAXPV-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
CID 83041631
ethyl 2-(propylamino)butanoate
CID 60795885
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate (CID 63055201) is ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)CCC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate?
The InChIKey is AUERUPCGXMAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-10-16-14(15(18)19-7-2)9-12-17(5)11-8-13(3)4/h13-14,16H,6-12H2,1-5H3.
What are the key properties of ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate?
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate has a molecular weight of 272.43 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63055201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).