sodium;3,4-diaminopentanoic acid;hydride;iron

C5H13FeN2NaO2 — CID 173404535

IUPACsodium;3,4-diaminopentanoic acid;hydride;iron
SMILESCC(N)C(N)CC(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C5H12N2O2.Fe.Na.H/c1-3(6)4(7)2-5(8)9;;;/h3-4H,2,6-7H2,1H3,(H,8,9);;;/q;;+1;-1
InChIKeyNDNSTNGDEZAKIY-UHFFFAOYSA-N
MW212.01 g/mol
LogP-3.75
Rot. Bonds3

About sodium;3,4-diaminopentanoic acid;hydride;iron

sodium;3,4-diaminopentanoic acid;hydride;iron (PubChem CID 173404535) has the molecular formula C5H13FeN2NaO2 and a molecular weight of 212.01 g/mol. Its IUPAC name is sodium;3,4-diaminopentanoic acid;hydride;iron.

Molecular Properties

Compound Namesodium;3,4-diaminopentanoic acid;hydride;iron
PubChem CID173404535
Molecular FormulaC5H13FeN2NaO2
Molecular Weight212.01 g/mol
Exact Mass212.02
IUPAC Namesodium;3,4-diaminopentanoic acid;hydride;iron
SMILESCC(N)C(N)CC(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C5H12N2O2.Fe.Na.H/c1-3(6)4(7)2-5(8)9;;;/h3-4H,2,6-7H2,1H3,(H,8,9);;;/q;;+1;-1
InChIKeyNDNSTNGDEZAKIY-UHFFFAOYSA-N
XLogP-3.75
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.01
LogP ≤ 5-3.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;3,4-diaminopentanoic acid
CID 173404371
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
3-amino-4-sulfanylpentanoic acid
CID 57282100
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
2-aminobutanedioic acid;bis(2-aminopropanoic acid)
CID 154929079
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734

Frequently Asked Questions

What is the IUPAC name of sodium;3,4-diaminopentanoic acid;hydride;iron?
The IUPAC name of sodium;3,4-diaminopentanoic acid;hydride;iron (CID 173404535) is sodium;3,4-diaminopentanoic acid;hydride;iron.
What is the SMILES notation for sodium;3,4-diaminopentanoic acid;hydride;iron?
The canonical SMILES for sodium;3,4-diaminopentanoic acid;hydride;iron is CC(N)C(N)CC(=O)O.[Fe].[H-].[Na+].
What is the InChIKey of sodium;3,4-diaminopentanoic acid;hydride;iron?
The InChIKey is NDNSTNGDEZAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.Fe.Na.H/c1-3(6)4(7)2-5(8)9;;;/h3-4H,2,6-7H2,1H3,(H,8,9);;;/q;;+1;-1.
What are the key properties of sodium;3,4-diaminopentanoic acid;hydride;iron?
sodium;3,4-diaminopentanoic acid;hydride;iron has a molecular weight of 212.01 g/mol, XLogP of -3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-diaminopentanoic acid;hydride;iron is sourced from PubChem (CID 173404535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).