(2S)-2-amino-3-methaneselenoylselanylpropanoic acid

C4H7NO2Se2 — CID 102413484

IUPAC(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
SMILESN[C@H](C[Se]C=[Se])C(=O)O
InChIInChI=1S/C4H7NO2Se2/c5-3(4(6)7)1-9-2-8/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1
InChIKeyCWJBTFDITVXNJM-GSVOUGTGSA-N
MW259.02 g/mol
LogP-1.55
Rot. Bonds4

About (2S)-2-amino-3-methaneselenoylselanylpropanoic acid

(2S)-2-amino-3-methaneselenoylselanylpropanoic acid (PubChem CID 102413484) has the molecular formula C4H7NO2Se2 and a molecular weight of 259.02 g/mol. Its IUPAC name is (2S)-2-amino-3-methaneselenoylselanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
PubChem CID102413484
Molecular FormulaC4H7NO2Se2
Molecular Weight259.02 g/mol
Exact Mass260.88
IUPAC Name(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
SMILESN[C@H](C[Se]C=[Se])C(=O)O
InChIInChI=1S/C4H7NO2Se2/c5-3(4(6)7)1-9-2-8/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1
InChIKeyCWJBTFDITVXNJM-GSVOUGTGSA-N
XLogP-1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.02
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-methaneselenoylselanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-amino-3-ethylselanylpropanoic acid
CID 71337670
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
CID 163362392
CID 163362392
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
(2S)-2-Amino-4-selanylbutanoic acid
CID 15894949
2,5-diaminohept-6-enoic acid
CID 19865707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methaneselenoylselanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-methaneselenoylselanylpropanoic acid (CID 102413484) is (2S)-2-amino-3-methaneselenoylselanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methaneselenoylselanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-methaneselenoylselanylpropanoic acid is N[C@H](C[Se]C=[Se])C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methaneselenoylselanylpropanoic acid?
The InChIKey is CWJBTFDITVXNJM-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7NO2Se2/c5-3(4(6)7)1-9-2-8/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (2S)-2-amino-3-methaneselenoylselanylpropanoic acid?
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid has a molecular weight of 259.02 g/mol, XLogP of -1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methaneselenoylselanylpropanoic acid is sourced from PubChem (CID 102413484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).