methyl 2-[acetyl(methyl)amino]hexanoate

C10H19NO3 — CID 23279435

IUPACmethyl 2-[acetyl(methyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-5-6-7-9(10(13)14-4)11(3)8(2)12/h9H,5-7H2,1-4H3
InChIKeyMFHPCHDEBIMQBW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-[acetyl(methyl)amino]hexanoate

methyl 2-[acetyl(methyl)amino]hexanoate (PubChem CID 23279435) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[acetyl(methyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[acetyl(methyl)amino]hexanoate
PubChem CID23279435
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[acetyl(methyl)amino]hexanoate
SMILESCCCCC(C(=O)OC)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-5-6-7-9(10(13)14-4)11(3)8(2)12/h9H,5-7H2,1-4H3
InChIKeyMFHPCHDEBIMQBW-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate
CID 115868845
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
CID 115666744
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl (2S)-2-aminohexanoate
CID 7018840
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl (2S)-6-amino-2-(dimethylamino)hexanoate
CID 22894949
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
CID 102863957
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
methyl 2-sulfanylundecanoate
CID 90343263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl(methyl)amino]hexanoate?
The IUPAC name of methyl 2-[acetyl(methyl)amino]hexanoate (CID 23279435) is methyl 2-[acetyl(methyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[acetyl(methyl)amino]hexanoate?
The canonical SMILES for methyl 2-[acetyl(methyl)amino]hexanoate is CCCCC(C(=O)OC)N(C)C(C)=O.
What is the InChIKey of methyl 2-[acetyl(methyl)amino]hexanoate?
The InChIKey is MFHPCHDEBIMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-7-9(10(13)14-4)11(3)8(2)12/h9H,5-7H2,1-4H3.
What are the key properties of methyl 2-[acetyl(methyl)amino]hexanoate?
methyl 2-[acetyl(methyl)amino]hexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl(methyl)amino]hexanoate is sourced from PubChem (CID 23279435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).