2-[hexyl(methyl)amino]acetic acid

C9H19NO2 — CID 10197909

IUPAC2-[hexyl(methyl)amino]acetic acid
SMILESCCCCCCN(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10(2)8-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyLTMXJQDZLBBTHS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds7

About 2-[hexyl(methyl)amino]acetic acid

2-[hexyl(methyl)amino]acetic acid (PubChem CID 10197909) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[hexyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[hexyl(methyl)amino]acetic acid
PubChem CID10197909
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[hexyl(methyl)amino]acetic acid
SMILESCCCCCCN(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10(2)8-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyLTMXJQDZLBBTHS-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
CID 175691968
CID 175691968
CID 87747954
CID 87747954
sodium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]acetic acid
CID 173150786
CID 155195867
CID 155195867
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
2-[methyl(tridecyl)amino]acetamide
CID 175737609
2-[methyl(propyl)amino]acetic acid;pentan-1-amine
CID 175371891
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
CID 154414053
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(methyl)amino]acetic acid?
The IUPAC name of 2-[hexyl(methyl)amino]acetic acid (CID 10197909) is 2-[hexyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[hexyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[hexyl(methyl)amino]acetic acid is CCCCCCN(C)CC(=O)O.
What is the InChIKey of 2-[hexyl(methyl)amino]acetic acid?
The InChIKey is LTMXJQDZLBBTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-10(2)8-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-[hexyl(methyl)amino]acetic acid?
2-[hexyl(methyl)amino]acetic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(methyl)amino]acetic acid is sourced from PubChem (CID 10197909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).