2-(diaminomethylideneamino)butanoic acid;sulfuric acid

C5H13N3O6S — CID 175193978

IUPAC2-(diaminomethylideneamino)butanoic acid;sulfuric acid
SMILESCCC(N=C(N)N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11N3O2.H2O4S/c1-2-3(4(9)10)8-5(6)7;1-5(2,3)4/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);(H2,1,2,3,4)
InChIKeyCFFHRSJBCGGPDM-UHFFFAOYSA-N
MW243.24 g/mol
LogP-1.53
Rot. Bonds3

About 2-(diaminomethylideneamino)butanoic acid;sulfuric acid

2-(diaminomethylideneamino)butanoic acid;sulfuric acid (PubChem CID 175193978) has the molecular formula C5H13N3O6S and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)butanoic acid;sulfuric acid.

Molecular Properties

Compound Name2-(diaminomethylideneamino)butanoic acid;sulfuric acid
PubChem CID175193978
Molecular FormulaC5H13N3O6S
Molecular Weight243.24 g/mol
Exact Mass243.05
IUPAC Name2-(diaminomethylideneamino)butanoic acid;sulfuric acid
SMILESCCC(N=C(N)N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11N3O2.H2O4S/c1-2-3(4(9)10)8-5(6)7;1-5(2,3)4/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);(H2,1,2,3,4)
InChIKeyCFFHRSJBCGGPDM-UHFFFAOYSA-N
XLogP-1.53
TPSA176.30 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-propan-2-ylguanidine;sulfuric acid
CID 11644095
(2S)-2-(methylideneamino)butanoic acid
CID 163502880
(2S)-5-[5-[(4S)-4-carboxy-4-(diaminomethylideneamino)butanoyl]oxy-4-(diaminomethylideneamino)-5-oxopentanoyl]oxy-2-(diaminomethylideneamino)-5-oxopentanoic acid
CID 91264901
2-propylguanidine;sulfuric acid
CID 12725939
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-amino-5-(diaminomethylideneamino)heptanoic acid
CID 87665653
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;(2S)-2-(diaminomethylideneamino)pentanedioic acid
CID 87175217
(2S)-2-aminopropanoic acid;sulfuric acid
CID 56932726
2-(1-aminopropylideneamino)butanamide
CID 131227217
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
2-(diaminomethylideneamino)-4-ethenoxy-4-oxobutanoic acid
CID 174359279

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)butanoic acid;sulfuric acid?
The IUPAC name of 2-(diaminomethylideneamino)butanoic acid;sulfuric acid (CID 175193978) is 2-(diaminomethylideneamino)butanoic acid;sulfuric acid.
What is the SMILES notation for 2-(diaminomethylideneamino)butanoic acid;sulfuric acid?
The canonical SMILES for 2-(diaminomethylideneamino)butanoic acid;sulfuric acid is CCC(N=C(N)N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-(diaminomethylideneamino)butanoic acid;sulfuric acid?
The InChIKey is CFFHRSJBCGGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2.H2O4S/c1-2-3(4(9)10)8-5(6)7;1-5(2,3)4/h3H,2H2,1H3,(H,9,10)(H4,6,7,8);(H2,1,2,3,4).
What are the key properties of 2-(diaminomethylideneamino)butanoic acid;sulfuric acid?
2-(diaminomethylideneamino)butanoic acid;sulfuric acid has a molecular weight of 243.24 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)butanoic acid;sulfuric acid is sourced from PubChem (CID 175193978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).