2-[carboxymethyl(5-methoxypentyl)amino]acetic acid

C10H19NO5 — CID 20728386

IUPAC2-[carboxymethyl(5-methoxypentyl)amino]acetic acid
SMILESCOCCCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO5/c1-16-6-4-2-3-5-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyRYJCOWRKYHXRFX-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.27
Rot. Bonds10

About 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid

2-[carboxymethyl(5-methoxypentyl)amino]acetic acid (PubChem CID 20728386) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(5-methoxypentyl)amino]acetic acid
PubChem CID20728386
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[carboxymethyl(5-methoxypentyl)amino]acetic acid
SMILESCOCCCCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO5/c1-16-6-4-2-3-5-11(7-9(12)13)8-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyRYJCOWRKYHXRFX-UHFFFAOYSA-N
XLogP0.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid (CID 20728386) is 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid is COCCCCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid?
The InChIKey is RYJCOWRKYHXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-16-6-4-2-3-5-11(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(5-methoxypentyl)amino]acetic acid?
2-[carboxymethyl(5-methoxypentyl)amino]acetic acid has a molecular weight of 233.26 g/mol, XLogP of 0.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(5-methoxypentyl)amino]acetic acid is sourced from PubChem (CID 20728386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).