(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid

C7H18N4O6S — CID 139024984

IUPAC(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
SMILESNC(N)=NCCCC[C@@H](N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H16N4O2.H2O4S/c8-5(6(12)13)3-1-2-4-11-7(9)10;1-5(2,3)4/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);(H2,1,2,3,4)/t5-;/m1./s1
InChIKeyWKALSGFQNULHQH-NUBCRITNSA-N
MW286.31 g/mol
LogP-1.81
Rot. Bonds6

About (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid

(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid (PubChem CID 139024984) has the molecular formula C7H18N4O6S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid.

Molecular Properties

Compound Name(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
PubChem CID139024984
Molecular FormulaC7H18N4O6S
Molecular Weight286.31 g/mol
Exact Mass286.09
IUPAC Name(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
SMILESNC(N)=NCCCC[C@@H](N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C7H16N4O2.H2O4S/c8-5(6(12)13)3-1-2-4-11-7(9)10;1-5(2,3)4/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);(H2,1,2,3,4)/t5-;/m1./s1
InChIKeyWKALSGFQNULHQH-NUBCRITNSA-N
XLogP-1.81
TPSA202.32 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 5-1.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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
(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
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,6-diaminohexanoic acid;methanesulfonic acid
CID 121440262
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid?
The IUPAC name of (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid (CID 139024984) is (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid.
What is the SMILES notation for (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid?
The canonical SMILES for (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid is NC(N)=NCCCC[C@@H](N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid?
The InChIKey is WKALSGFQNULHQH-NUBCRITNSA-N. The full InChI is InChI=1S/C7H16N4O2.H2O4S/c8-5(6(12)13)3-1-2-4-11-7(9)10;1-5(2,3)4/h5H,1-4,8H2,(H,12,13)(H4,9,10,11);(H2,1,2,3,4)/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid?
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid has a molecular weight of 286.31 g/mol, XLogP of -1.81, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid is sourced from PubChem (CID 139024984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).