2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid

C14H21N3O9 — CID 15042000

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN1CC(=O)OC(=O)C1
InChIInChI=1S/C14H21N3O9/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17-8-13(24)26-14(25)9-17/h1-9H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyOCJWIPLSHBRDGE-UHFFFAOYSA-N
MW375.33 g/mol
LogP-2.77
Rot. Bonds12

About 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid

2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid (PubChem CID 15042000) has the molecular formula C14H21N3O9 and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
PubChem CID15042000
Molecular FormulaC14H21N3O9
Molecular Weight375.33 g/mol
Exact Mass375.13
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN1CC(=O)OC(=O)C1
InChIInChI=1S/C14H21N3O9/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17-8-13(24)26-14(25)9-17/h1-9H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyOCJWIPLSHBRDGE-UHFFFAOYSA-N
XLogP-2.77
TPSA164.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 5-2.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]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-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid (CID 15042000) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN1CC(=O)OC(=O)C1.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The InChIKey is OCJWIPLSHBRDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O9/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17-8-13(24)26-14(25)9-17/h1-9H2,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid has a molecular weight of 375.33 g/mol, XLogP of -2.77, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 15042000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).