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

C14H25N3O9 — CID 11710623

IUPAC2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCN(CCO)CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O9/c18-6-5-15(1-3-16(7-11(19)20)8-12(21)22)2-4-17(9-13(23)24)10-14(25)26/h18H,1-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyUGPOMYKAJIUZFB-UHFFFAOYSA-N
MW379.37 g/mol
LogP-2.78
Rot. Bonds16

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

2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 11710623) has the molecular formula C14H25N3O9 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID11710623
Molecular FormulaC14H25N3O9
Molecular Weight379.37 g/mol
Exact Mass379.16
IUPAC Name2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCN(CCO)CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O9/c18-6-5-15(1-3-16(7-11(19)20)8-12(21)22)2-4-17(9-13(23)24)10-14(25)26/h18H,1-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyUGPOMYKAJIUZFB-UHFFFAOYSA-N
XLogP-2.78
TPSA179.15 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-2.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid (CID 11710623) is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is O=C(O)CN(CCN(CCO)CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is UGPOMYKAJIUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O9/c18-6-5-15(1-3-16(7-11(19)20)8-12(21)22)2-4-17(9-13(23)24)10-14(25)26/h18H,1-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 379.37 g/mol, XLogP of -2.78, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 11710623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).