(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide

C5H12N2O2Se — CID 71381711

IUPAC(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
SMILESC[Se]CC[C@H](N)C(=O)NO
InChIInChI=1S/C5H12N2O2Se/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyBXMYSZGGJPNJME-BYPYZUCNSA-N
MW211.12 g/mol
LogP-0.62
Rot. Bonds4

About (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide

(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide (PubChem CID 71381711) has the molecular formula C5H12N2O2Se and a molecular weight of 211.12 g/mol. Its IUPAC name is (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
PubChem CID71381711
Molecular FormulaC5H12N2O2Se
Molecular Weight211.12 g/mol
Exact Mass212.01
IUPAC Name(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide
SMILESC[Se]CC[C@H](N)C(=O)NO
InChIInChI=1S/C5H12N2O2Se/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyBXMYSZGGJPNJME-BYPYZUCNSA-N
XLogP-0.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
propan-2-yl (2S)-2-amino-4-methylselanylbutanoate;hydrochloride
CID 15952503
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-3-chloro-N-hydroxypropanamide;hydrochloride
CID 46919266
(3R)-3-amino-5-methylselanylpentanoic acid
CID 122173769
(2S)-2-(hydroxyamino)-4-methylselanylbutanoic acid
CID 87429227
dodecyl (2S)-2-amino-4-methylselanylbutanoate
CID 87067764
2-amino-N-ethoxypentanamide
CID 64974803
(2S)-2-amino-5-(hydroxyamino)-4-methyl-5-oxopentanoic acid
CID 22809795
(4S)-4-amino-5-[[(1R)-1-carboxy-2-methylselanylethyl]amino]-5-oxopentanoic acid
CID 87361496
(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-amino-N,5-dimethylhexanamide
CID 116850475

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide?
The IUPAC name of (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide (CID 71381711) is (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide is C[Se]CC[C@H](N)C(=O)NO.
What is the InChIKey of (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide?
The InChIKey is BXMYSZGGJPNJME-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O2Se/c1-10-3-2-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide?
(2S)-2-amino-N-hydroxy-4-methylselanylbutanamide has a molecular weight of 211.12 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hydroxy-4-methylselanylbutanamide is sourced from PubChem (CID 71381711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).