(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid

C5H12N2O2Se — CID 152756500

IUPAC(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid
SMILESNCCN[C@@H](C[SeH])C(=O)O
InChIInChI=1S/C5H12N2O2Se/c6-1-2-7-4(3-10)5(8)9/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1
InChIKeyWQGIRKIZIQSCNU-BYPYZUCNSA-N
MW211.12 g/mol
LogP-1.69
Rot. Bonds5

About (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid

(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid (PubChem CID 152756500) has the molecular formula C5H12N2O2Se and a molecular weight of 211.12 g/mol. Its IUPAC name is (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid
PubChem CID152756500
Molecular FormulaC5H12N2O2Se
Molecular Weight211.12 g/mol
Exact Mass212.01
IUPAC Name(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid
SMILESNCCN[C@@H](C[SeH])C(=O)O
InChIInChI=1S/C5H12N2O2Se/c6-1-2-7-4(3-10)5(8)9/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1
InChIKeyWQGIRKIZIQSCNU-BYPYZUCNSA-N
XLogP-1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
2-(2-aminoethylamino)-4-oxopentanoic acid
CID 59927928
(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
CID 129095324
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
disodium;bis(2-aminoethanol);(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid
CID 134693657
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
(2S)-2-(5-aminopentylamino)butanedioic acid
CID 122552658
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2R)-2-[[(3S)-3,6-diamino-2,6-dioxohexyl]amino]-3-selanylpropanoic acid
CID 173197611
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-(2-aminoethylamino)butanamide
CID 62900229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid?
The IUPAC name of (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid (CID 152756500) is (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid?
The canonical SMILES for (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid is NCCN[C@@H](C[SeH])C(=O)O.
What is the InChIKey of (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid?
The InChIKey is WQGIRKIZIQSCNU-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O2Se/c6-1-2-7-4(3-10)5(8)9/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid?
(2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid has a molecular weight of 211.12 g/mol, XLogP of -1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminoethylamino)-3-selanylpropanoic acid is sourced from PubChem (CID 152756500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).