bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)

C12H26CoN8O4 — CID 87871094

IUPACbis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
SMILESNC(N)=NCCC[C@H](N)C(=O)[O-].NC(N)=NCCC[C@H](N)C(=O)[O-].[Co+2]
InChIInChI=1S/2C6H14N4O2.Co/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);/q;;+2/p-2/t2*4-;/m00./s1
InChIKeyREFCNSKDIVCPFC-SCGRZTRASA-L
MW405.33 g/mol
LogP-5.77
Rot. Bonds10

About bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)

bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+) (PubChem CID 87871094) has the molecular formula C12H26CoN8O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+).

Molecular Properties

Compound Namebis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
PubChem CID87871094
Molecular FormulaC12H26CoN8O4
Molecular Weight405.33 g/mol
Exact Mass405.14
IUPAC Namebis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
SMILESNC(N)=NCCC[C@H](N)C(=O)[O-].NC(N)=NCCC[C@H](N)C(=O)[O-].[Co+2]
InChIInChI=1S/2C6H14N4O2.Co/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);/q;;+2/p-2/t2*4-;/m00./s1
InChIKeyREFCNSKDIVCPFC-SCGRZTRASA-L
XLogP-5.77
TPSA261.10 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 5-5.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
disodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopentanedioate
CID 174872928
tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);tris((2S)-2,6-diaminohexanoate);iron(3+)
CID 173057633
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)?
The IUPAC name of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+) (CID 87871094) is bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+).
What is the SMILES notation for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)?
The canonical SMILES for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+) is NC(N)=NCCC[C@H](N)C(=O)[O-].NC(N)=NCCC[C@H](N)C(=O)[O-].[Co+2].
What is the InChIKey of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)?
The InChIKey is REFCNSKDIVCPFC-SCGRZTRASA-L. The full InChI is InChI=1S/2C6H14N4O2.Co/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);/q;;+2/p-2/t2*4-;/m00./s1.
What are the key properties of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)?
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+) has a molecular weight of 405.33 g/mol, XLogP of -5.77, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+) is sourced from PubChem (CID 87871094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).