2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid

C16H22N2O6 — CID 118730364

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H22N2O6/c19-14(20)10-17(7-6-13-4-2-1-3-5-13)8-9-18(11-15(21)22)12-16(23)24/h1-5H,6-12H2,(H,19,20)(H,21,22)(H,23,24)
InChIKeyAICDYWJUTUBZRH-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.09
Rot. Bonds12

About 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid (PubChem CID 118730364) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid
PubChem CID118730364
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H22N2O6/c19-14(20)10-17(7-6-13-4-2-1-3-5-13)8-9-18(11-15(21)22)12-16(23)24/h1-5H,6-12H2,(H,19,20)(H,21,22)(H,23,24)
InChIKeyAICDYWJUTUBZRH-UHFFFAOYSA-N
XLogP0.09
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)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-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid (CID 118730364) is 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid?
The InChIKey is AICDYWJUTUBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c19-14(20)10-17(7-6-13-4-2-1-3-5-13)8-9-18(11-15(21)22)12-16(23)24/h1-5H,6-12H2,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 0.09, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 118730364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).