(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid

C5H11NO3Se — CID 87429227

IUPAC(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid
SMILESC[Se]CC[C@H](NO)C(=O)O
InChIInChI=1S/C5H11NO3Se/c1-10-3-2-4(6-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyKXIGXGAUZXFZHG-BYPYZUCNSA-N
MW212.11 g/mol
LogP-0.02
Rot. Bonds5

About (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid

(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid (PubChem CID 87429227) has the molecular formula C5H11NO3Se and a molecular weight of 212.11 g/mol. Its IUPAC name is (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid
PubChem CID87429227
Molecular FormulaC5H11NO3Se
Molecular Weight212.11 g/mol
Exact Mass212.99
IUPAC Name(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid
SMILESC[Se]CC[C@H](NO)C(=O)O
InChIInChI=1S/C5H11NO3Se/c1-10-3-2-4(6-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyKXIGXGAUZXFZHG-BYPYZUCNSA-N
XLogP-0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(butanoylamino)-4-methylselanylbutanoic acid
CID 89313972
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2S)-2-(hydroxyamino)-4-methylsulfinylbutanoic acid
CID 172552891
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
tricalcium;2-(hydroxyamino)-4-methylsulfanylbutanoic acid;diphosphate
CID 175160326
2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
CID 73440789
(2S)-2-amino-4-methylselanylbutanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylselanylbutanoic acid
CID 159182917
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid?
The IUPAC name of (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid (CID 87429227) is (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid.
What is the SMILES notation for (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid?
The canonical SMILES for (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid is C[Se]CC[C@H](NO)C(=O)O.
What is the InChIKey of (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid?
The InChIKey is KXIGXGAUZXFZHG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3Se/c1-10-3-2-4(6-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid?
(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid has a molecular weight of 212.11 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid is sourced from PubChem (CID 87429227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).