methyl 6-acetamido-2-(methylamino)hexanoate

C10H20N2O3 — CID 78438016

IUPACmethyl 6-acetamido-2-(methylamino)hexanoate
SMILESCNC(CCCCNC(C)=O)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-8(13)12-7-5-4-6-9(11-2)10(14)15-3/h9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyOBIZFBBPPUCZLR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds7

About methyl 6-acetamido-2-(methylamino)hexanoate

methyl 6-acetamido-2-(methylamino)hexanoate (PubChem CID 78438016) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 6-acetamido-2-(methylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-acetamido-2-(methylamino)hexanoate
PubChem CID78438016
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 6-acetamido-2-(methylamino)hexanoate
SMILESCNC(CCCCNC(C)=O)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-8(13)12-7-5-4-6-9(11-2)10(14)15-3/h9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyOBIZFBBPPUCZLR-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
methyl (2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]hexanoate
CID 22216362
methyl (2S)-2-(methylamino)-6-(4-sulfanylbutanoylamino)hexanoate
CID 58895159
methyl (2S)-6-acetamido-2-[(2-methyl-3-oxoprop-1-enyl)amino]hexanoate
CID 131859283
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
methyl (2S)-2,6-bis(methoxycarbonylamino)hexanoate
CID 11219607
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetamido-2-(methylamino)hexanoate?
The IUPAC name of methyl 6-acetamido-2-(methylamino)hexanoate (CID 78438016) is methyl 6-acetamido-2-(methylamino)hexanoate.
What is the SMILES notation for methyl 6-acetamido-2-(methylamino)hexanoate?
The canonical SMILES for methyl 6-acetamido-2-(methylamino)hexanoate is CNC(CCCCNC(C)=O)C(=O)OC.
What is the InChIKey of methyl 6-acetamido-2-(methylamino)hexanoate?
The InChIKey is OBIZFBBPPUCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(13)12-7-5-4-6-9(11-2)10(14)15-3/h9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 6-acetamido-2-(methylamino)hexanoate?
methyl 6-acetamido-2-(methylamino)hexanoate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetamido-2-(methylamino)hexanoate is sourced from PubChem (CID 78438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).