2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)

C14H23FeN3O10+2 — CID 6396686

IUPAC2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Fe+2]
InChIInChI=1S/C14H23N3O10.Fe/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;+2
InChIKeyRASZKSWRZUIIQJ-UHFFFAOYSA-N
MW449.19 g/mol
LogP-2.69
Rot. Bonds16

About 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) (PubChem CID 6396686) has the molecular formula C14H23FeN3O10+2 and a molecular weight of 449.19 g/mol. Its IUPAC name is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+).

Molecular Properties

Compound Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
PubChem CID6396686
Molecular FormulaC14H23FeN3O10+2
Molecular Weight449.19 g/mol
Exact Mass449.07
IUPAC Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Fe+2]
InChIInChI=1S/C14H23N3O10.Fe/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;+2
InChIKeyRASZKSWRZUIIQJ-UHFFFAOYSA-N
XLogP-2.69
TPSA196.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.19
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) 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

Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
Ca-DTPA
CID 86735184
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
CID 131881711
CID 131881711

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)?
The IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) (CID 6396686) is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+).
What is the SMILES notation for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)?
The canonical SMILES for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Fe+2].
What is the InChIKey of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)?
The InChIKey is RASZKSWRZUIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O10.Fe/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;+2.
What are the key properties of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)?
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) has a molecular weight of 449.19 g/mol, XLogP of -2.69, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+) is sourced from PubChem (CID 6396686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).