2-[2-carboxyethyl(methyl)amino]hexanoic acid

C10H19NO4 — CID 82328730

IUPAC2-[2-carboxyethyl(methyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-8(10(14)15)11(2)7-6-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRDUVONFURHCWBH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.04
Rot. Bonds8

About 2-[2-carboxyethyl(methyl)amino]hexanoic acid

2-[2-carboxyethyl(methyl)amino]hexanoic acid (PubChem CID 82328730) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-carboxyethyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(methyl)amino]hexanoic acid
PubChem CID82328730
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-carboxyethyl(methyl)amino]hexanoic acid
SMILESCCCCC(C(=O)O)N(C)CCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-8(10(14)15)11(2)7-6-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRDUVONFURHCWBH-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
3-[2-[methyl((113C)methyl)(15N)amino](5,6-13C2)hexanoylamino]propanoic acid
CID 162702216
2-[2-dodecanoyloxyethyl(methyl)amino]dodecanoic acid
CID 175431061
(2S)-2-[methyl(octyl)amino]-4-methylsulfanylbutanoic acid
CID 22811822
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
(2S)-2-[benzyl(methyl)amino]hexanoic acid
CID 165358312
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]octanoic acid
CID 155121101
2-(dimethylamino)tetracosanoic acid
CID 19101458
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
2-[2-[bis(1,4-dicarboxybutyl)amino]ethyl-(1,4-dicarboxybutyl)amino]hexanedioic acid
CID 169227887
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(methyl)amino]hexanoic acid?
The IUPAC name of 2-[2-carboxyethyl(methyl)amino]hexanoic acid (CID 82328730) is 2-[2-carboxyethyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(methyl)amino]hexanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(methyl)amino]hexanoic acid is CCCCC(C(=O)O)N(C)CCC(=O)O.
What is the InChIKey of 2-[2-carboxyethyl(methyl)amino]hexanoic acid?
The InChIKey is RDUVONFURHCWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-5-8(10(14)15)11(2)7-6-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-carboxyethyl(methyl)amino]hexanoic acid?
2-[2-carboxyethyl(methyl)amino]hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 82328730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).