2-amino-3-methyl-5-selanylpentanoic acid

C6H13NO2Se — CID 173165921

IUPAC2-amino-3-methyl-5-selanylpentanoic acid
SMILESCC(CC[SeH])C(N)C(=O)O
InChIInChI=1S/C6H13NO2Se/c1-4(2-3-10)5(7)6(8)9/h4-5,10H,2-3,7H2,1H3,(H,8,9)
InChIKeyMYNBIPPNKRDUBB-UHFFFAOYSA-N
MW210.13 g/mol
LogP-0.26
Rot. Bonds4

About 2-amino-3-methyl-5-selanylpentanoic acid

2-amino-3-methyl-5-selanylpentanoic acid (PubChem CID 173165921) has the molecular formula C6H13NO2Se and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-amino-3-methyl-5-selanylpentanoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-5-selanylpentanoic acid
PubChem CID173165921
Molecular FormulaC6H13NO2Se
Molecular Weight210.13 g/mol
Exact Mass211.01
IUPAC Name2-amino-3-methyl-5-selanylpentanoic acid
SMILESCC(CC[SeH])C(N)C(=O)O
InChIInChI=1S/C6H13NO2Se/c1-4(2-3-10)5(7)6(8)9/h4-5,10H,2-3,7H2,1H3,(H,8,9)
InChIKeyMYNBIPPNKRDUBB-UHFFFAOYSA-N
XLogP-0.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-methyl-5-selanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
CID 58481212
CID 58481212
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-selanylpentanoic acid?
The IUPAC name of 2-amino-3-methyl-5-selanylpentanoic acid (CID 173165921) is 2-amino-3-methyl-5-selanylpentanoic acid.
What is the SMILES notation for 2-amino-3-methyl-5-selanylpentanoic acid?
The canonical SMILES for 2-amino-3-methyl-5-selanylpentanoic acid is CC(CC[SeH])C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methyl-5-selanylpentanoic acid?
The InChIKey is MYNBIPPNKRDUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2Se/c1-4(2-3-10)5(7)6(8)9/h4-5,10H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 2-amino-3-methyl-5-selanylpentanoic acid?
2-amino-3-methyl-5-selanylpentanoic acid has a molecular weight of 210.13 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-selanylpentanoic acid is sourced from PubChem (CID 173165921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).