4-[amino(oxido)amino]butanoic acid

C4H9N2O3- — CID 163980196

IUPAC4-[amino(oxido)amino]butanoic acid
SMILESNN([O-])CCCC(=O)O
InChIInChI=1S/C4H9N2O3/c5-6(9)3-1-2-4(7)8/h1-3,5H2,(H,7,8)/q-1
InChIKeyNIOQYQFEHPCFFA-UHFFFAOYSA-N
MW133.13 g/mol
LogP-0.48
Rot. Bonds4

About 4-[amino(oxido)amino]butanoic acid

4-[amino(oxido)amino]butanoic acid (PubChem CID 163980196) has the molecular formula C4H9N2O3- and a molecular weight of 133.13 g/mol. Its IUPAC name is 4-[amino(oxido)amino]butanoic acid.

Molecular Properties

Compound Name4-[amino(oxido)amino]butanoic acid
PubChem CID163980196
Molecular FormulaC4H9N2O3-
Molecular Weight133.13 g/mol
Exact Mass133.06
IUPAC Name4-[amino(oxido)amino]butanoic acid
SMILESNN([O-])CCCC(=O)O
InChIInChI=1S/C4H9N2O3/c5-6(9)3-1-2-4(7)8/h1-3,5H2,(H,7,8)/q-1
InChIKeyNIOQYQFEHPCFFA-UHFFFAOYSA-N
XLogP-0.48
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;bis(pentanedioic acid)
CID 138524332
azane;hexanedioic acid
CID 14323449
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
azane;decanedioic acid;tetrahydrate
CID 175249510
hydrazine;pentanedioic acid;dihydrate
CID 172730564
bis(hexanedioic acid);piperazine
CID 159642331
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[carboxymethyl(hydroxy)amino]butanoic acid
CID 87101408

Frequently Asked Questions

What is the IUPAC name of 4-[amino(oxido)amino]butanoic acid?
The IUPAC name of 4-[amino(oxido)amino]butanoic acid (CID 163980196) is 4-[amino(oxido)amino]butanoic acid.
What is the SMILES notation for 4-[amino(oxido)amino]butanoic acid?
The canonical SMILES for 4-[amino(oxido)amino]butanoic acid is NN([O-])CCCC(=O)O.
What is the InChIKey of 4-[amino(oxido)amino]butanoic acid?
The InChIKey is NIOQYQFEHPCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O3/c5-6(9)3-1-2-4(7)8/h1-3,5H2,(H,7,8)/q-1.
What are the key properties of 4-[amino(oxido)amino]butanoic acid?
4-[amino(oxido)amino]butanoic acid has a molecular weight of 133.13 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(oxido)amino]butanoic acid is sourced from PubChem (CID 163980196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).