(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride

C6H12ClNO2Se — CID 154706634

IUPAC(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
SMILESC=CC[Se]C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C6H11NO2Se.ClH/c1-2-3-10-4-5(7)6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
InChIKeyJBISWFUQGUVLMJ-JEDNCBNOSA-N
MW244.58 g/mol
LogP0.55
Rot. Bonds5

About (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride

(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride (PubChem CID 154706634) has the molecular formula C6H12ClNO2Se and a molecular weight of 244.58 g/mol. Its IUPAC name is (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
PubChem CID154706634
Molecular FormulaC6H12ClNO2Se
Molecular Weight244.58 g/mol
Exact Mass244.97
IUPAC Name(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
SMILESC=CC[Se]C[C@H](N)C(=O)O.Cl
InChIInChI=1S/C6H11NO2Se.ClH/c1-2-3-10-4-5(7)6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
InChIKeyJBISWFUQGUVLMJ-JEDNCBNOSA-N
XLogP0.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.58
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
CID 163103371
[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
CID 162406373
2-amino-3-ethylselanylpropanoic acid
CID 71337670
2-amino-2-prop-2-enylselanylacetic acid
CID 58402496
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
CID 102413484
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
2-amino-3-hydroxyselanylpropanoic acid
CID 175022065
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid
CID 140542965
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
2,5-diaminohept-6-enoic acid
CID 19865707
(2S,6S)-2,6-diamino-4-methylidene-2-prop-2-enylheptanedioic acid
CID 101237530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride (CID 154706634) is (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride is C=CC[Se]C[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride?
The InChIKey is JBISWFUQGUVLMJ-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO2Se.ClH/c1-2-3-10-4-5(7)6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H/t5-;/m0./s1.
What are the key properties of (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride?
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride has a molecular weight of 244.58 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride is sourced from PubChem (CID 154706634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).