bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc

C12H28N8O4Zn — CID 154941617

IUPACbis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.[Zn]
InChIInChI=1S/2C6H14N4O2.Zn/c2*7-4(5(11)12)2-1-3-10-6(8)9;/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);
InChIKeyRLSBGGURBSZJLQ-UHFFFAOYSA-N
MW413.80 g/mol
LogP-3.10
Rot. Bonds10

About bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc

bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc (PubChem CID 154941617) has the molecular formula C12H28N8O4Zn and a molecular weight of 413.80 g/mol. Its IUPAC name is bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc.

Molecular Properties

Compound Namebis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
PubChem CID154941617
Molecular FormulaC12H28N8O4Zn
Molecular Weight413.80 g/mol
Exact Mass412.15
IUPAC Namebis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
SMILESNC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.[Zn]
InChIInChI=1S/2C6H14N4O2.Zn/c2*7-4(5(11)12)2-1-3-10-6(8)9;/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);
InChIKeyRLSBGGURBSZJLQ-UHFFFAOYSA-N
XLogP-3.10
TPSA255.44 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.80
LogP ≤ 5-3.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
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CID 86698939
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
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CID 175416337
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
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2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
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(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697
CID 141048538
CID 141048538

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc?
The IUPAC name of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc (CID 154941617) is bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc.
What is the SMILES notation for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc?
The canonical SMILES for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc is NC(N)=NCCCC(N)C(=O)O.NC(N)=NCCCC(N)C(=O)O.[Zn].
What is the InChIKey of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc?
The InChIKey is RLSBGGURBSZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N4O2.Zn/c2*7-4(5(11)12)2-1-3-10-6(8)9;/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);.
What are the key properties of bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc?
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc has a molecular weight of 413.80 g/mol, XLogP of -3.10, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc is sourced from PubChem (CID 154941617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).