methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate

C15H32N2O2 — CID 55143734

IUPACmethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H32N2O2/c1-8-10-16-13(14(18)19-7)9-11-17(6)12(2)15(3,4)5/h12-13,16H,8-11H2,1-7H3
InChIKeyONKONTOUQTYGLO-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.28
Rot. Bonds8

About methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate

methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate (PubChem CID 55143734) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
PubChem CID55143734
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Namemethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H32N2O2/c1-8-10-16-13(14(18)19-7)9-11-17(6)12(2)15(3,4)5/h12-13,16H,8-11H2,1-7H3
InChIKeyONKONTOUQTYGLO-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
CID 63029476

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate (CID 55143734) is methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)C(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate?
The InChIKey is ONKONTOUQTYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-10-16-13(14(18)19-7)9-11-17(6)12(2)15(3,4)5/h12-13,16H,8-11H2,1-7H3.
What are the key properties of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate?
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate has a molecular weight of 272.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 55143734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).