(2R)-2-ammonio-3-selanylpropanoate

C3H6NO2Se — CID 25245418

IUPAC—
SMILES[NH3+][C@@H](C[Se])C(=O)[O-]
InChIInChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyFDKWRPBBCBCIGA-REOHCLBHSA-N
MW167.05 g/mol
LogP-3.07
Rot. Bonds2

About (2R)-2-ammonio-3-selanylpropanoate

(2R)-2-ammonio-3-selanylpropanoate (PubChem CID 25245418) has the molecular formula C3H6NO2Se and a molecular weight of 167.05 g/mol.

Molecular Properties

Compound Name(2R)-2-ammonio-3-selanylpropanoate
PubChem CID25245418
Molecular FormulaC3H6NO2Se
Molecular Weight167.05 g/mol
Exact Mass167.96
IUPAC Name—
SMILES[NH3+][C@@H](C[Se])C(=O)[O-]
InChIInChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyFDKWRPBBCBCIGA-REOHCLBHSA-N
XLogP-3.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-azaniumyl-3-sulfanylpropanoate
CID 5260155
(2R)-2-azaniumyl-3-[[(2R)-2-azaniumyl-2-carboxylatoethyl]disulfanyl]propanoate
CID 6992103
(2S)-2-azaniumyl-3-chloropropanoate
CID 5287866
2-azaniumyl-3-[(2-azaniumyl-2-carboxylatoethyl)disulfanyl]propanoate
CID 24798687
3-azaniumylpropane-1,1,3-tricarboxylate
CID 25203239
(2R)-2-azaniumyl-4-sulfanylbutanoate
CID 6971069
(2S)-2-azaniumyl-4-fluorobutanoate
CID 10486843
(2S)-2-azaniumyl-4-methylsulfonylbutanoate
CID 6994316
(2S)-2-azaniumyl-3-[hydroxy(nitroso)amino]propanoate
CID 90657278
(2S,4S)-2-azaniumyl-4-methylpentanedioate
CID 6971090
2-azaniumyl-5-hydroxy-5-oxopentanoate
CID 57397101
(2S)-2-azaniumyl-4-chloropent-4-enoate
CID 25202061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ammonio-3-selanylpropanoate?
The IUPAC name of (2R)-2-ammonio-3-selanylpropanoate (CID 25245418) is not available.
What is the SMILES notation for (2R)-2-ammonio-3-selanylpropanoate?
The canonical SMILES for (2R)-2-ammonio-3-selanylpropanoate is [NH3+][C@@H](C[Se])C(=O)[O-].
What is the InChIKey of (2R)-2-ammonio-3-selanylpropanoate?
The InChIKey is FDKWRPBBCBCIGA-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6NO2Se/c4-2(1-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of (2R)-2-ammonio-3-selanylpropanoate?
(2R)-2-ammonio-3-selanylpropanoate has a molecular weight of 167.05 g/mol, XLogP of -3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ammonio-3-selanylpropanoate is sourced from PubChem (CID 25245418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).