azane;3,5-diaminopentanoic acid;iron;hydrate

C5H17FeN3O3 — CID 173139840

IUPACazane;3,5-diaminopentanoic acid;iron;hydrate
SMILESN.NCCC(N)CC(=O)O.O.[Fe]
InChIInChI=1S/C5H12N2O2.Fe.H3N.H2O/c6-2-1-4(7)3-5(8)9;;;/h4H,1-3,6-7H2,(H,8,9);;1H3;1H2
InChIKeyRGDFMINIBIQVLG-UHFFFAOYSA-N
MW223.05 g/mol
LogP-1.53
Rot. Bonds4

About azane;3,5-diaminopentanoic acid;iron;hydrate

azane;3,5-diaminopentanoic acid;iron;hydrate (PubChem CID 173139840) has the molecular formula C5H17FeN3O3 and a molecular weight of 223.05 g/mol. Its IUPAC name is azane;3,5-diaminopentanoic acid;iron;hydrate.

Molecular Properties

Compound Nameazane;3,5-diaminopentanoic acid;iron;hydrate
PubChem CID173139840
Molecular FormulaC5H17FeN3O3
Molecular Weight223.05 g/mol
Exact Mass223.06
IUPAC Nameazane;3,5-diaminopentanoic acid;iron;hydrate
SMILESN.NCCC(N)CC(=O)O.O.[Fe]
InChIInChI=1S/C5H12N2O2.Fe.H3N.H2O/c6-2-1-4(7)3-5(8)9;;;/h4H,1-3,6-7H2,(H,8,9);;1H3;1H2
InChIKeyRGDFMINIBIQVLG-UHFFFAOYSA-N
XLogP-1.53
TPSA155.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;3,5-diaminopentanoic acid
CID 173202896
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
3,7-diaminoheptanoic acid
CID 4695301
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
3-aminodocosanedioic acid
CID 57269564
3-amino-12-hydroxydodecanoic acid
CID 146253643
acetic acid;3,4-diaminobutanoic acid
CID 173099381
3-aminononanoic acid
CID 2832746
(3R)-3-amino-5-methylselanylpentanoic acid
CID 122173769
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
7-aminonon-3-enedioic acid
CID 175407467

Frequently Asked Questions

What is the IUPAC name of azane;3,5-diaminopentanoic acid;iron;hydrate?
The IUPAC name of azane;3,5-diaminopentanoic acid;iron;hydrate (CID 173139840) is azane;3,5-diaminopentanoic acid;iron;hydrate.
What is the SMILES notation for azane;3,5-diaminopentanoic acid;iron;hydrate?
The canonical SMILES for azane;3,5-diaminopentanoic acid;iron;hydrate is N.NCCC(N)CC(=O)O.O.[Fe].
What is the InChIKey of azane;3,5-diaminopentanoic acid;iron;hydrate?
The InChIKey is RGDFMINIBIQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.Fe.H3N.H2O/c6-2-1-4(7)3-5(8)9;;;/h4H,1-3,6-7H2,(H,8,9);;1H3;1H2.
What are the key properties of azane;3,5-diaminopentanoic acid;iron;hydrate?
azane;3,5-diaminopentanoic acid;iron;hydrate has a molecular weight of 223.05 g/mol, XLogP of -1.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,5-diaminopentanoic acid;iron;hydrate is sourced from PubChem (CID 173139840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).