2-[carboxymethyl(hexyl)amino]acetic acid

C10H19NO4 — CID 23422372

IUPAC2-[carboxymethyl(hexyl)amino]acetic acid
SMILESCCCCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-3-4-5-6-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeySGKUSVMVHGBAGR-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.04
Rot. Bonds9

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

2-[carboxymethyl(hexyl)amino]acetic acid (PubChem CID 23422372) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[carboxymethyl(hexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(hexyl)amino]acetic acid
PubChem CID23422372
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[carboxymethyl(hexyl)amino]acetic acid
SMILESCCCCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-3-4-5-6-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeySGKUSVMVHGBAGR-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
2-[carboxylatomethyl(hexadecyl)amino]acetate
CID 59297428
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(hexyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(hexyl)amino]acetic acid (CID 23422372) is 2-[carboxymethyl(hexyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(hexyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(hexyl)amino]acetic acid is CCCCCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(hexyl)amino]acetic acid?
The InChIKey is SGKUSVMVHGBAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-3-4-5-6-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(hexyl)amino]acetic acid?
2-[carboxymethyl(hexyl)amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(hexyl)amino]acetic acid is sourced from PubChem (CID 23422372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).