2-amino-3-ethylselanylpropanoic acid

C5H11NO2Se — CID 71337670

IUPAC2-amino-3-ethylselanylpropanoic acid
SMILESCC[Se]CC(N)C(=O)O
InChIInChI=1S/C5H11NO2Se/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyPIWDMQGDBUADQV-UHFFFAOYSA-N
MW196.11 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-3-ethylselanylpropanoic acid

2-amino-3-ethylselanylpropanoic acid (PubChem CID 71337670) has the molecular formula C5H11NO2Se and a molecular weight of 196.11 g/mol. Its IUPAC name is 2-amino-3-ethylselanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-ethylselanylpropanoic acid
PubChem CID71337670
Molecular FormulaC5H11NO2Se
Molecular Weight196.11 g/mol
Exact Mass197.00
IUPAC Name2-amino-3-ethylselanylpropanoic acid
SMILESCC[Se]CC(N)C(=O)O
InChIInChI=1S/C5H11NO2Se/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyPIWDMQGDBUADQV-UHFFFAOYSA-N
XLogP-0.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 5-0.04
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

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
CID 163103371
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
2-amino-3-hydroxyselanylpropanoic acid
CID 175022065
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
CID 102413484
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;ethane
CID 90764297
(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid
CID 10564079
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethylselanylpropanoic acid?
The IUPAC name of 2-amino-3-ethylselanylpropanoic acid (CID 71337670) is 2-amino-3-ethylselanylpropanoic acid.
What is the SMILES notation for 2-amino-3-ethylselanylpropanoic acid?
The canonical SMILES for 2-amino-3-ethylselanylpropanoic acid is CC[Se]CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-ethylselanylpropanoic acid?
The InChIKey is PIWDMQGDBUADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2Se/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-ethylselanylpropanoic acid?
2-amino-3-ethylselanylpropanoic acid has a molecular weight of 196.11 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethylselanylpropanoic acid is sourced from PubChem (CID 71337670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).