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

C5H10FeNO7P+2 — CID 85470348

IUPAC2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)
SMILESO=C(O)CN(CC(=O)O)CP(=O)(O)O.[Fe+2]
InChIInChI=1S/C5H10NO7P.Fe/c7-4(8)1-6(2-5(9)10)3-14(11,12)13;/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);/q;+2
InChIKeyIGSUAZOMIBANBD-UHFFFAOYSA-N
MW282.95 g/mol
LogP-1.41
Rot. Bonds6

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

2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+) (PubChem CID 85470348) has the molecular formula C5H10FeNO7P+2 and a molecular weight of 282.95 g/mol. Its IUPAC name is 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+).

Molecular Properties

Compound Name2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)
PubChem CID85470348
Molecular FormulaC5H10FeNO7P+2
Molecular Weight282.95 g/mol
Exact Mass282.95
IUPAC Name2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)
SMILESO=C(O)CN(CC(=O)O)CP(=O)(O)O.[Fe+2]
InChIInChI=1S/C5H10NO7P.Fe/c7-4(8)1-6(2-5(9)10)3-14(11,12)13;/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);/q;+2
InChIKeyIGSUAZOMIBANBD-UHFFFAOYSA-N
XLogP-1.41
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[hydroxy(methoxy)phosphoryl]methyl-(phosphonomethyl)amino]acetic acid
CID 58503097
[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid;iron(2+)
CID 85470345
carbon dioxide;2-[carboxymethyl(phosphonomethyl)amino]acetic acid;methanol;4-phosphonobutanoic acid
CID 161417548
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
[bis(2-azido-2-oxoethyl)amino]methylphosphonic acid
CID 142769230
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;iron(2+)
CID 6396686
[2-[bis(phosphonomethyl)amino]ethyl-[2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
CID 10351468

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)?
The IUPAC name of 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+) (CID 85470348) is 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+).
What is the SMILES notation for 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)?
The canonical SMILES for 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+) is O=C(O)CN(CC(=O)O)CP(=O)(O)O.[Fe+2].
What is the InChIKey of 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)?
The InChIKey is IGSUAZOMIBANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO7P.Fe/c7-4(8)1-6(2-5(9)10)3-14(11,12)13;/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13);/q;+2.
What are the key properties of 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+)?
2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+) has a molecular weight of 282.95 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(phosphonomethyl)amino]acetic acid;iron(2+) is sourced from PubChem (CID 85470348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).