azane;2-(carboxymethylamino)pentanedioic acid;iron

C7H14FeN2O6 — CID 174849848

IUPACazane;2-(carboxymethylamino)pentanedioic acid;iron
SMILESN.O=C(O)CCC(NCC(=O)O)C(=O)O.[Fe]
InChIInChI=1S/C7H11NO6.Fe.H3N/c9-5(10)2-1-4(7(13)14)8-3-6(11)12;;/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;1H3
InChIKeyUQEQCMNDLNOWPX-UHFFFAOYSA-N
MW278.04 g/mol
LogP-0.86
Rot. Bonds7

About azane;2-(carboxymethylamino)pentanedioic acid;iron

azane;2-(carboxymethylamino)pentanedioic acid;iron (PubChem CID 174849848) has the molecular formula C7H14FeN2O6 and a molecular weight of 278.04 g/mol. Its IUPAC name is azane;2-(carboxymethylamino)pentanedioic acid;iron.

Molecular Properties

Compound Nameazane;2-(carboxymethylamino)pentanedioic acid;iron
PubChem CID174849848
Molecular FormulaC7H14FeN2O6
Molecular Weight278.04 g/mol
Exact Mass278.02
IUPAC Nameazane;2-(carboxymethylamino)pentanedioic acid;iron
SMILESN.O=C(O)CCC(NCC(=O)O)C(=O)O.[Fe]
InChIInChI=1S/C7H11NO6.Fe.H3N/c9-5(10)2-1-4(7(13)14)8-3-6(11)12;;/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;1H3
InChIKeyUQEQCMNDLNOWPX-UHFFFAOYSA-N
XLogP-0.86
TPSA158.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.04
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(bromoamino)pentanedioic acid
CID 54027690
(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
CID 54566164
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(2S)-2-(2,2,2-trifluoroethylamino)pentanedioic acid
CID 118468848
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
2-[(dimethylamino)methylamino]pentanedioic acid
CID 175015429
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
2-(3-fluoropropylamino)pentanedioic acid
CID 174597642
(2S)-2-(3-fluoropropylamino)pentanedioic acid
CID 142782231
2-(2-cyanoethylamino)pentanedioic acid
CID 23424376

Frequently Asked Questions

What is the IUPAC name of azane;2-(carboxymethylamino)pentanedioic acid;iron?
The IUPAC name of azane;2-(carboxymethylamino)pentanedioic acid;iron (CID 174849848) is azane;2-(carboxymethylamino)pentanedioic acid;iron.
What is the SMILES notation for azane;2-(carboxymethylamino)pentanedioic acid;iron?
The canonical SMILES for azane;2-(carboxymethylamino)pentanedioic acid;iron is N.O=C(O)CCC(NCC(=O)O)C(=O)O.[Fe].
What is the InChIKey of azane;2-(carboxymethylamino)pentanedioic acid;iron?
The InChIKey is UQEQCMNDLNOWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6.Fe.H3N/c9-5(10)2-1-4(7(13)14)8-3-6(11)12;;/h4,8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;1H3.
What are the key properties of azane;2-(carboxymethylamino)pentanedioic acid;iron?
azane;2-(carboxymethylamino)pentanedioic acid;iron has a molecular weight of 278.04 g/mol, XLogP of -0.86, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(carboxymethylamino)pentanedioic acid;iron is sourced from PubChem (CID 174849848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).