methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate

C14H28N2O4 — CID 106708104

IUPACmethyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCCCC(C)(C)CN)CC(=O)OC
InChIInChI=1S/C14H28N2O4/c1-14(2,11-15)7-5-6-8-16(9-12(17)19-3)10-13(18)20-4/h5-11,15H2,1-4H3
InChIKeyHYVSIGDOCMBHFK-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.79
Rot. Bonds10

About methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 106708104) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID106708104
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namemethyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CCCCC(C)(C)CN)CC(=O)OC
InChIInChI=1S/C14H28N2O4/c1-14(2,11-15)7-5-6-8-16(9-12(17)19-3)10-13(18)20-4/h5-11,15H2,1-4H3
InChIKeyHYVSIGDOCMBHFK-UHFFFAOYSA-N
XLogP0.79
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
methyl 2-[(3-hydroxy-3-methylbutyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 79355102
methyl 2-(6-amino-5,5-dimethylhexyl)sulfonylacetate
CID 106714759
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416
2-[(4-amino-3,3-dimethylbutyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 65246887
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
CID 106708111
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 106708104) is methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CCCCC(C)(C)CN)CC(=O)OC.
What is the InChIKey of methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is HYVSIGDOCMBHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-14(2,11-15)7-5-6-8-16(9-12(17)19-3)10-13(18)20-4/h5-11,15H2,1-4H3.
What are the key properties of methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 288.39 g/mol, XLogP of 0.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 106708104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).