3-[[amino(hydrazinyl)methylidene]amino]propanoic acid

C4H10N4O2 — CID 10558754

IUPAC3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
SMILESNN/C(N)=N/CCC(=O)O
InChIInChI=1S/C4H10N4O2/c5-4(8-6)7-2-1-3(9)10/h1-2,6H2,(H,9,10)(H3,5,7,8)
InChIKeyQVAZXVDGIHGEFO-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.76
Rot. Bonds3

About 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid

3-[[amino(hydrazinyl)methylidene]amino]propanoic acid (PubChem CID 10558754) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid.

Molecular Properties

Compound Name3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
PubChem CID10558754
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
SMILESNN/C(N)=N/CCC(=O)O
InChIInChI=1S/C4H10N4O2/c5-4(8-6)7-2-1-3(9)10/h1-2,6H2,(H,9,10)(H3,5,7,8)
InChIKeyQVAZXVDGIHGEFO-UHFFFAOYSA-N
XLogP-1.76
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
3-[[amino-(2-aminoethylsulfanylamino)methylidene]amino]propanoic acid
CID 118493111
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
2-[[amino(hydrazinyl)methylidene]amino]ethyl benzoate
CID 59228865
4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid
CID 91339210
1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
CID 64867513
guanidine;hydrazinecarboxylic acid
CID 162000755
5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
CID 163528176
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
3-[[amino(ethylamino)methylidene]amino]propanamide
CID 62361753
3-[[amino-(1H-indole-2-carbonylamino)methylidene]amino]propanoic acid
CID 67645669

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid?
The IUPAC name of 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid (CID 10558754) is 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid.
What is the SMILES notation for 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid?
The canonical SMILES for 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid is NN/C(N)=N/CCC(=O)O.
What is the InChIKey of 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid?
The InChIKey is QVAZXVDGIHGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c5-4(8-6)7-2-1-3(9)10/h1-2,6H2,(H,9,10)(H3,5,7,8).
What are the key properties of 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid?
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid has a molecular weight of 146.15 g/mol, XLogP of -1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(hydrazinyl)methylidene]amino]propanoic acid is sourced from PubChem (CID 10558754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).