nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver

C6H13AgN5O4 — CID 174523791

IUPACnitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver
SMILESNC(N)=NCCC[C@H](N)C(=O)O[N+](=O)[O-].[Ag]
InChIInChI=1S/C6H13N5O4.Ag/c7-4(5(12)15-11(13)14)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H4,8,9,10);/t4-;/m0./s1
InChIKeyWJXJANGICIJWGF-WCCKRBBISA-N
MW327.07 g/mol
LogP-1.90
Rot. Bonds6

About nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver

nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver (PubChem CID 174523791) has the molecular formula C6H13AgN5O4 and a molecular weight of 327.07 g/mol. Its IUPAC name is nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver.

Molecular Properties

Compound Namenitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver
PubChem CID174523791
Molecular FormulaC6H13AgN5O4
Molecular Weight327.07 g/mol
Exact Mass326.00
IUPAC Namenitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver
SMILESNC(N)=NCCC[C@H](N)C(=O)O[N+](=O)[O-].[Ag]
InChIInChI=1S/C6H13N5O4.Ag/c7-4(5(12)15-11(13)14)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H4,8,9,10);/t4-;/m0./s1
InChIKeyWJXJANGICIJWGF-WCCKRBBISA-N
XLogP-1.90
TPSA159.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.07
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
(4-nitrophenyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 165358818
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232

Frequently Asked Questions

What is the IUPAC name of nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver?
The IUPAC name of nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver (CID 174523791) is nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver.
What is the SMILES notation for nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver?
The canonical SMILES for nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver is NC(N)=NCCC[C@H](N)C(=O)O[N+](=O)[O-].[Ag].
What is the InChIKey of nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver?
The InChIKey is WJXJANGICIJWGF-WCCKRBBISA-N. The full InChI is InChI=1S/C6H13N5O4.Ag/c7-4(5(12)15-11(13)14)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H4,8,9,10);/t4-;/m0./s1.
What are the key properties of nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver?
nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver has a molecular weight of 327.07 g/mol, XLogP of -1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver is sourced from PubChem (CID 174523791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).