disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate

C6H10N2Na2O4Se2 — CID 141380072

IUPACdisodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate
SMILESN[C@@H](C[Se][Se]C[C@H](N)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H12N2O4Se2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4-;;/m0../s1
InChIKeyZEEMFPISNARNAS-RGVONZFCSA-L
MW378.06 g/mol
LogP-10.69
Rot. Bonds7

About disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate

disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate (PubChem CID 141380072) has the molecular formula C6H10N2Na2O4Se2 and a molecular weight of 378.06 g/mol. Its IUPAC name is disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate.

Molecular Properties

Compound Namedisodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate
PubChem CID141380072
Molecular FormulaC6H10N2Na2O4Se2
Molecular Weight378.06 g/mol
Exact Mass379.88
IUPAC Namedisodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate
SMILESN[C@@H](C[Se][Se]C[C@H](N)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H12N2O4Se2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4-;;/m0../s1
InChIKeyZEEMFPISNARNAS-RGVONZFCSA-L
XLogP-10.69
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 5-10.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate with MolForge

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Related Compounds

sodium 2-amino-3-hydroxypropanoate
CID 23676048
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
disodium;2-aminobutanedioate
CID 172873588
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127
2-aminobutanedioate
CID 4519554
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
diazanium;2-aminopentanedioate
CID 22497325

Frequently Asked Questions

What is the IUPAC name of disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate?
The IUPAC name of disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate (CID 141380072) is disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate.
What is the SMILES notation for disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate?
The canonical SMILES for disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate is N[C@@H](C[Se][Se]C[C@H](N)C(=O)[O-])C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate?
The InChIKey is ZEEMFPISNARNAS-RGVONZFCSA-L. The full InChI is InChI=1S/C6H12N2O4Se2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4-;;/m0../s1.
What are the key properties of disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate?
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate has a molecular weight of 378.06 g/mol, XLogP of -10.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate is sourced from PubChem (CID 141380072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).