(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid

C8H11NO2Se — CID 175759648

IUPAC(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid
SMILESN[C@@H](CC1C=CC=C[Se]1)C(=O)O
InChIInChI=1S/C8H11NO2Se/c9-7(8(10)11)5-6-3-1-2-4-12-6/h1-4,6-7H,5,9H2,(H,10,11)/t6?,7-/m0/s1
InChIKeyGXIMLFVUZHSQAY-MLWJPKLSSA-N
MW232.14 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid

(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid (PubChem CID 175759648) has the molecular formula C8H11NO2Se and a molecular weight of 232.14 g/mol. Its IUPAC name is (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid
PubChem CID175759648
Molecular FormulaC8H11NO2Se
Molecular Weight232.14 g/mol
Exact Mass233.00
IUPAC Name(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid
SMILESN[C@@H](CC1C=CC=C[Se]1)C(=O)O
InChIInChI=1S/C8H11NO2Se/c9-7(8(10)11)5-6-3-1-2-4-12-6/h1-4,6-7H,5,9H2,(H,10,11)/t6?,7-/m0/s1
InChIKeyGXIMLFVUZHSQAY-MLWJPKLSSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid (CID 175759648) is (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid is N[C@@H](CC1C=CC=C[Se]1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid?
The InChIKey is GXIMLFVUZHSQAY-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H11NO2Se/c9-7(8(10)11)5-6-3-1-2-4-12-6/h1-4,6-7H,5,9H2,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid?
(2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid has a molecular weight of 232.14 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2H-selenopyran-2-yl)propanoic acid is sourced from PubChem (CID 175759648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).