(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)

C6H17N7O11 — CID 86628840

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H14N4O2.3HNO3/c7-4(5(11)12)2-1-3-10-6(8)9;3*2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3*(H,2,3,4)/t4-;;;/m0.../s1
InChIKeyXELOMAOTVADGHO-WJXVXWFNSA-N
MW363.24 g/mol
LogP-2.59
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid) (PubChem CID 86628840) has the molecular formula C6H17N7O11 and a molecular weight of 363.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid).

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
PubChem CID86628840
Molecular FormulaC6H17N7O11
Molecular Weight363.24 g/mol
Exact Mass363.10
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
SMILESNC(N)=NCCC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H14N4O2.3HNO3/c7-4(5(11)12)2-1-3-10-6(8)9;3*2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3*(H,2,3,4)/t4-;;;/m0.../s1
InChIKeyXELOMAOTVADGHO-WJXVXWFNSA-N
XLogP-2.59
TPSA317.83 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 5-2.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid) (CID 86628840) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid).
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid) is NC(N)=NCCC[C@H](N)C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)?
The InChIKey is XELOMAOTVADGHO-WJXVXWFNSA-N. The full InChI is InChI=1S/C6H14N4O2.3HNO3/c7-4(5(11)12)2-1-3-10-6(8)9;3*2-1(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3*(H,2,3,4)/t4-;;;/m0.../s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid) has a molecular weight of 363.24 g/mol, XLogP of -2.59, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid) is sourced from PubChem (CID 86628840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).