(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid

C6H12N2O4Se — CID 163103371

IUPAC(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
SMILESN[C@H](C[Se]C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4Se/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
InChIKeyAKHDCUIIFPFSCM-ZXZARUISSA-N
MW255.13 g/mol
LogP-1.65
Rot. Bonds6

About (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid (PubChem CID 163103371) has the molecular formula C6H12N2O4Se and a molecular weight of 255.13 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
PubChem CID163103371
Molecular FormulaC6H12N2O4Se
Molecular Weight255.13 g/mol
Exact Mass256.00
IUPAC Name(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
SMILESN[C@H](C[Se]C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4Se/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
InChIKeyAKHDCUIIFPFSCM-ZXZARUISSA-N
XLogP-1.65
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-ethylselanylpropanoic acid
CID 71337670
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
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino-3-[(4-methylphenyl)methylselanyl]propanoic acid
CID 10564079
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
(6S)-2,6-diamino-2-[2-(2-amino-2-carboxyethyl)selanylethyl]-3-oxoheptanedioic acid
CID 21125605
(2S)-5-amino-2-[[3-(2-amino-2-carboxyethyl)selanyl-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 127261891
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid (CID 163103371) is (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid is N[C@H](C[Se]C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid?
The InChIKey is AKHDCUIIFPFSCM-ZXZARUISSA-N. The full InChI is InChI=1S/C6H12N2O4Se/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+.
What are the key properties of (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid?
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid has a molecular weight of 255.13 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid is sourced from PubChem (CID 163103371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).