2-[3,7-dimethyloctyl(methyl)amino]acetic acid

C13H27NO2 — CID 169208781

IUPAC2-[3,7-dimethyloctyl(methyl)amino]acetic acid
SMILESCC(C)CCCC(C)CCN(C)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-11(2)6-5-7-12(3)8-9-14(4)10-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyZLMXXSJRKBGKGQ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.86
Rot. Bonds9

About 2-[3,7-dimethyloctyl(methyl)amino]acetic acid

2-[3,7-dimethyloctyl(methyl)amino]acetic acid (PubChem CID 169208781) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[3,7-dimethyloctyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3,7-dimethyloctyl(methyl)amino]acetic acid
PubChem CID169208781
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[3,7-dimethyloctyl(methyl)amino]acetic acid
SMILESCC(C)CCCC(C)CCN(C)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-11(2)6-5-7-12(3)8-9-14(4)10-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyZLMXXSJRKBGKGQ-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
8,12-dimethyltridecanoic acid
CID 101005175
11,15-dimethylhexadecanoic acid
CID 5282701
2-[2-[1-aminoethyl(methyl)amino]ethyl-methylamino]acetic acid
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12,17-dimethyloctadecanoic acid
CID 123475021
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
CID 58534733
2-[2-[carboxymethyl(methyl)amino]ethyl]hexanoic acid
CID 142749103
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577

Frequently Asked Questions

What is the IUPAC name of 2-[3,7-dimethyloctyl(methyl)amino]acetic acid?
The IUPAC name of 2-[3,7-dimethyloctyl(methyl)amino]acetic acid (CID 169208781) is 2-[3,7-dimethyloctyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[3,7-dimethyloctyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[3,7-dimethyloctyl(methyl)amino]acetic acid is CC(C)CCCC(C)CCN(C)CC(=O)O.
What is the InChIKey of 2-[3,7-dimethyloctyl(methyl)amino]acetic acid?
The InChIKey is ZLMXXSJRKBGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)6-5-7-12(3)8-9-14(4)10-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 2-[3,7-dimethyloctyl(methyl)amino]acetic acid?
2-[3,7-dimethyloctyl(methyl)amino]acetic acid has a molecular weight of 229.36 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,7-dimethyloctyl(methyl)amino]acetic acid is sourced from PubChem (CID 169208781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).