methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate

C11H22N2O3 — CID 115868845

IUPACmethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16-4)13(3)8-10(14)12-2/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBUMCEJIOBUGPDX-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds7

About methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate

methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate (PubChem CID 115868845) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate
PubChem CID115868845
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16-4)13(3)8-10(14)12-2/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBUMCEJIOBUGPDX-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
methyl 2-[acetyl(methyl)amino]hexanoate
CID 23279435
2-[(1-hydrazinyl-3-methoxy-1-oxopropan-2-yl)-methylamino]-N-methylacetamide
CID 103229508
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
CID 115666744
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
2-(dimethylamino)-N-methylhexanamide
CID 126638644
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl (2S)-2-aminohexanoate
CID 7018840

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate?
The IUPAC name of methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate (CID 115868845) is methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate.
What is the SMILES notation for methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate?
The canonical SMILES for methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate is CCCCC(C(=O)OC)N(C)CC(=O)NC.
What is the InChIKey of methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate?
The InChIKey is BUMCEJIOBUGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16-4)13(3)8-10(14)12-2/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate?
methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate is sourced from PubChem (CID 115868845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).