2-amino-2-prop-2-enylselanylacetic acid

C5H9NO2Se — CID 58402496

IUPAC2-amino-2-prop-2-enylselanylacetic acid
SMILESC=CC[Se]C(N)C(=O)O
InChIInChI=1S/C5H9NO2Se/c1-2-3-9-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
InChIKeyLSVRMYHOSSYUDZ-UHFFFAOYSA-N
MW194.09 g/mol
LogP-0.34
Rot. Bonds4

About 2-amino-2-prop-2-enylselanylacetic acid

2-amino-2-prop-2-enylselanylacetic acid (PubChem CID 58402496) has the molecular formula C5H9NO2Se and a molecular weight of 194.09 g/mol. Its IUPAC name is 2-amino-2-prop-2-enylselanylacetic acid.

Molecular Properties

Compound Name2-amino-2-prop-2-enylselanylacetic acid
PubChem CID58402496
Molecular FormulaC5H9NO2Se
Molecular Weight194.09 g/mol
Exact Mass194.98
IUPAC Name2-amino-2-prop-2-enylselanylacetic acid
SMILESC=CC[Se]C(N)C(=O)O
InChIInChI=1S/C5H9NO2Se/c1-2-3-9-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
InChIKeyLSVRMYHOSSYUDZ-UHFFFAOYSA-N
XLogP-0.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
[(1R)-1-carboxy-2-prop-2-enylselanylethyl]azanium
CID 162406373
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
2,5-diaminohept-6-enoic acid
CID 19865707
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
(2R)-2-aminohept-6-enoic acid
CID 71352792
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
3-aminohex-5-enoic acid
CID 22142027
2-amino-3-(hydroxymethyl)-4-oxo-4-prop-2-enoxybutanoic acid
CID 174428685
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-prop-2-enylselanylacetic acid?
The IUPAC name of 2-amino-2-prop-2-enylselanylacetic acid (CID 58402496) is 2-amino-2-prop-2-enylselanylacetic acid.
What is the SMILES notation for 2-amino-2-prop-2-enylselanylacetic acid?
The canonical SMILES for 2-amino-2-prop-2-enylselanylacetic acid is C=CC[Se]C(N)C(=O)O.
What is the InChIKey of 2-amino-2-prop-2-enylselanylacetic acid?
The InChIKey is LSVRMYHOSSYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2Se/c1-2-3-9-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8).
What are the key properties of 2-amino-2-prop-2-enylselanylacetic acid?
2-amino-2-prop-2-enylselanylacetic acid has a molecular weight of 194.09 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-prop-2-enylselanylacetic acid is sourced from PubChem (CID 58402496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).