sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate

C14H22N3NaO10 — CID 23675759

IUPACsodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C14H23N3O10.Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+1/p-1
InChIKeyUXIDHQPACNSJJP-UHFFFAOYSA-M
MW415.33 g/mol
LogP-7.02
Rot. Bonds16

About sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate

sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate (PubChem CID 23675759) has the molecular formula C14H22N3NaO10 and a molecular weight of 415.33 g/mol. Its IUPAC name is sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
PubChem CID23675759
Molecular FormulaC14H22N3NaO10
Molecular Weight415.33 g/mol
Exact Mass415.12
IUPAC Namesodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Na+]
InChIInChI=1S/C14H23N3O10.Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+1/p-1
InChIKeyUXIDHQPACNSJJP-UHFFFAOYSA-M
XLogP-7.02
TPSA199.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 5-7.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate 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 sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The IUPAC name of sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate (CID 23675759) is sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate.
What is the SMILES notation for sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The canonical SMILES for sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate is O=C([O-])CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Na+].
What is the InChIKey of sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The InChIKey is UXIDHQPACNSJJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23N3O10.Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+1/p-1.
What are the key properties of sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate?
sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate has a molecular weight of 415.33 g/mol, XLogP of -7.02, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate is sourced from PubChem (CID 23675759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).