[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium

C6H12NO2Se+ — CID 162406373

IUPAC[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
SMILESC=CC[Se]C[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H11NO2Se/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyFHHAJIAWQMSOLD-YFKPBYRVSA-O
MW209.13 g/mol
LogP-0.59
Rot. Bonds5

About [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium

[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium (PubChem CID 162406373) has the molecular formula C6H12NO2Se+ and a molecular weight of 209.13 g/mol. Its IUPAC name is [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
PubChem CID162406373
Molecular FormulaC6H12NO2Se+
Molecular Weight209.13 g/mol
Exact Mass210.00
IUPAC Name[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
SMILESC=CC[Se]C[C@H]([NH3+])C(=O)O
InChIInChI=1S/C6H11NO2Se/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyFHHAJIAWQMSOLD-YFKPBYRVSA-O
XLogP-0.59
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
2-amino-2-prop-2-enylselanylacetic acid
CID 58402496
2-azaniumyl-3-hydroxy-3-oxopropane-1-thiolate;zinc
CID 21133236
[(1R)-2-azaniumyl-1-carboxyethyl]azanium
CID 102469878
[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790
(3-amino-1-carboxy-3-oxopropyl)azanium
CID 5460874
(2-hydroxy-1-hydroxycarbonylethyl)azanium chloride
CID 165413536
1-carboxyethyl-(1-hydroxyethyl)-methyl-prop-2-enylazanium
CID 175249819
1-carboxyprop-2-enylazanium chloride
CID 87996071
2-azidopent-4-enoic acid
CID 77132005
2-nitrosopent-4-enoic acid
CID 57318320
[(1S)-1-carboxy-4,4,4-trifluoro-3-(trifluoromethyl)butyl]azanium chloride
CID 11414689

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium?
The IUPAC name of [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium (CID 162406373) is [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium.
What is the SMILES notation for [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium?
The canonical SMILES for [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium is C=CC[Se]C[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium?
The InChIKey is FHHAJIAWQMSOLD-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H11NO2Se/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/p+1/t5-/m0/s1.
What are the key properties of [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium?
[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium has a molecular weight of 209.13 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium is sourced from PubChem (CID 162406373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).