(2S)-4-aminooxy-2-azaniumylbutanoate

C4H10N2O3 — CID 25246035

IUPAC(2S)-4-aminooxy-2-azaniumylbutanoate
SMILESNOCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChIKeyFQPGMQABJNQLLF-VKHMYHEASA-N
MW134.13 g/mol
LogP-3.37
Rot. Bonds4

About (2S)-4-aminooxy-2-azaniumylbutanoate

(2S)-4-aminooxy-2-azaniumylbutanoate (PubChem CID 25246035) has the molecular formula C4H10N2O3 and a molecular weight of 134.13 g/mol. Its IUPAC name is (2S)-4-aminooxy-2-azaniumylbutanoate.

Molecular Properties

Compound Name(2S)-4-aminooxy-2-azaniumylbutanoate
PubChem CID25246035
Molecular FormulaC4H10N2O3
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name(2S)-4-aminooxy-2-azaniumylbutanoate
SMILESNOCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChIKeyFQPGMQABJNQLLF-VKHMYHEASA-N
XLogP-3.37
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-3.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Homoserine
CID 12647
L-Canaline
CID 441443
L-homoserine zwitterion
CID 6971022
DL-Homoserine
CID 779
D-Homoserine
CID 2724170
(2S)-2-ammonio-4-(carbamimidamidooxy)butanoate
CID 46224610
4-(Acetyloxy)-2-azaniumylbutanoate
CID 74413607
O-(Carbamoylamino)homoserine
CID 21126175
(2S)-4-acetoxy-2-ammoniobutanoate
CID 25244888
(2R)-2-azaniumyl-4-hydroxybutanoate
CID 6995172
2-Azaniumyl-4-hydroxybutanoate
CID 25245858
L-canavanine(1+)
CID 36688185

Frequently Asked Questions

What is the IUPAC name of (2S)-4-aminooxy-2-azaniumylbutanoate?
The IUPAC name of (2S)-4-aminooxy-2-azaniumylbutanoate (CID 25246035) is (2S)-4-aminooxy-2-azaniumylbutanoate.
What is the SMILES notation for (2S)-4-aminooxy-2-azaniumylbutanoate?
The canonical SMILES for (2S)-4-aminooxy-2-azaniumylbutanoate is NOCC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-4-aminooxy-2-azaniumylbutanoate?
The InChIKey is FQPGMQABJNQLLF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-4-aminooxy-2-azaniumylbutanoate?
(2S)-4-aminooxy-2-azaniumylbutanoate has a molecular weight of 134.13 g/mol, XLogP of -3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-aminooxy-2-azaniumylbutanoate is sourced from PubChem (CID 25246035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).