2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid

C12H21NO5 — CID 65065730

IUPAC2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)CC(=O)O)CCO1
InChIInChI=1S/C12H21NO5/c1-3-12(2)6-9(4-5-18-12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCLWQOGZPJDSGOS-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.81
Rot. Bonds6

About 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid

2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (PubChem CID 65065730) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
PubChem CID65065730
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
SMILESCCC1(C)CC(N(CC(=O)O)CC(=O)O)CCO1
InChIInChI=1S/C12H21NO5/c1-3-12(2)6-9(4-5-18-12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCLWQOGZPJDSGOS-UHFFFAOYSA-N
XLogP0.81
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)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-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid (CID 65065730) is 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is CCC1(C)CC(N(CC(=O)O)CC(=O)O)CCO1.
What is the InChIKey of 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
The InChIKey is CLWQOGZPJDSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-12(2)6-9(4-5-18-12)13(7-10(14)15)8-11(16)17/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid?
2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid has a molecular weight of 259.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65065730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).