methyl 2-[benzyl(methyl)amino]-3-methylpentanoate

C15H23NO2 — CID 146455513

IUPACmethyl 2-[benzyl(methyl)amino]-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)N(C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-12(2)14(15(17)18-4)16(3)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3
InChIKeyZAVRRPHYCPAADQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.71
Rot. Bonds6

About methyl 2-[benzyl(methyl)amino]-3-methylpentanoate

methyl 2-[benzyl(methyl)amino]-3-methylpentanoate (PubChem CID 146455513) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-[benzyl(methyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[benzyl(methyl)amino]-3-methylpentanoate
PubChem CID146455513
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-[benzyl(methyl)amino]-3-methylpentanoate
SMILESCCC(C)C(C(=O)OC)N(C)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-5-12(2)14(15(17)18-4)16(3)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3
InChIKeyZAVRRPHYCPAADQ-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S,5S)-4-[benzyl(methyl)amino]-2-(1-hydroxypropan-2-yl)-5-methyl-3-oxoheptanoate
CID 22862111
methyl (2R)-2-[benzyl(methyl)amino]-3-hydroxypropanoate
CID 121010319
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
methyl 2-[benzyl(methyl)amino]-3-(methylamino)-3-oxopropanoate
CID 71268170
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
N-benzyl-N-methylbutan-2-amine
CID 15496809
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(methyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[benzyl(methyl)amino]-3-methylpentanoate (CID 146455513) is methyl 2-[benzyl(methyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[benzyl(methyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[benzyl(methyl)amino]-3-methylpentanoate is CCC(C)C(C(=O)OC)N(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(methyl)amino]-3-methylpentanoate?
The InChIKey is ZAVRRPHYCPAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(2)14(15(17)18-4)16(3)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3.
What are the key properties of methyl 2-[benzyl(methyl)amino]-3-methylpentanoate?
methyl 2-[benzyl(methyl)amino]-3-methylpentanoate has a molecular weight of 249.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(methyl)amino]-3-methylpentanoate is sourced from PubChem (CID 146455513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).