2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid

C4H11N3O4 — CID 3945711

IUPAC2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid
SMILESNC(CCNN(O)O)C(=O)O
InChIInChI=1S/C4H11N3O4/c5-3(4(8)9)1-2-6-7(10)11/h3,6,10-11H,1-2,5H2,(H,8,9)
InChIKeyMIWINVDFPWXLPY-UHFFFAOYSA-N
MW165.15 g/mol
LogP-1.63
Rot. Bonds5

About 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid

2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid (PubChem CID 3945711) has the molecular formula C4H11N3O4 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid
PubChem CID3945711
Molecular FormulaC4H11N3O4
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid
SMILESNC(CCNN(O)O)C(=O)O
InChIInChI=1S/C4H11N3O4/c5-3(4(8)9)1-2-6-7(10)11/h3,6,10-11H,1-2,5H2,(H,8,9)
InChIKeyMIWINVDFPWXLPY-UHFFFAOYSA-N
XLogP-1.63
TPSA119.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane
CID 174440581
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,4-diaminobutanoic acid
CID 158725018
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxypropyl]amino]propyl]amino]butanoic acid
CID 87413291
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid?
The IUPAC name of 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid (CID 3945711) is 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid?
The canonical SMILES for 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid is NC(CCNN(O)O)C(=O)O.
What is the InChIKey of 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid?
The InChIKey is MIWINVDFPWXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O4/c5-3(4(8)9)1-2-6-7(10)11/h3,6,10-11H,1-2,5H2,(H,8,9).
What are the key properties of 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid?
2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid has a molecular weight of 165.15 g/mol, XLogP of -1.63, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid is sourced from PubChem (CID 3945711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).