2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid

C14H19N3O10 — CID 15839164

IUPAC2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(/C=C/N(CC(=O)O)CC(=O)O)/C=C/N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H19N3O10/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/h1-4H,5-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/b3-1+,4-2+
InChIKeyLMKGZJHKFMFLTB-ZPUQHVIOSA-N
MW389.32 g/mol
LogP-1.74
Rot. Bonds14

About 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid

2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid (PubChem CID 15839164) has the molecular formula C14H19N3O10 and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid
PubChem CID15839164
Molecular FormulaC14H19N3O10
Molecular Weight389.32 g/mol
Exact Mass389.11
IUPAC Name2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(/C=C/N(CC(=O)O)CC(=O)O)/C=C/N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H19N3O10/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/h1-4H,5-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/b3-1+,4-2+
InChIKeyLMKGZJHKFMFLTB-ZPUQHVIOSA-N
XLogP-1.74
TPSA196.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)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

Related Compounds

2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid
CID 158618990
2-[carboxymethyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]acetic acid
CID 2389939
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
2-[carboxymethyl(2,2-diphosphonoethenyl)amino]acetic acid
CID 102326025
2-[formyl-[(1Z,3E)-4-methylhexa-1,3-dienyl]amino]acetic acid
CID 154939696
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[2-acetylsulfanylethenyl(formyl)amino]acetic acid
CID 164902055
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid (CID 15839164) is 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid is O=C(O)CN(/C=C/N(CC(=O)O)CC(=O)O)/C=C/N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is LMKGZJHKFMFLTB-ZPUQHVIOSA-N. The full InChI is InChI=1S/C14H19N3O10/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/h1-4H,5-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/b3-1+,4-2+.
What are the key properties of 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid?
2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 389.32 g/mol, XLogP of -1.74, 14 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[[(E)-2-[bis(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]ethenyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 15839164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).