2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid

C6H12N2O4Se2 — CID 15104

IUPAC2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
SMILESNC(C[Se][Se]CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4Se2/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)
InChIKeyJULROCUWKLNBSN-UHFFFAOYSA-N
MW334.09 g/mol
LogP-2.03
Rot. Bonds7

About 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid

2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid (PubChem CID 15104) has the molecular formula C6H12N2O4Se2 and a molecular weight of 334.09 g/mol. Its IUPAC name is 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
PubChem CID15104
Molecular FormulaC6H12N2O4Se2
Molecular Weight334.09 g/mol
Exact Mass335.91
IUPAC Name2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
SMILESNC(C[Se][Se]CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4Se2/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)
InChIKeyJULROCUWKLNBSN-UHFFFAOYSA-N
XLogP-2.03
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
CID 163103371
2-amino-3-hydroxyselanylpropanoic acid
CID 175022065
2-amino-3-ethylselanylpropanoic acid
CID 71337670
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
CID 102413484
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
CID 24496
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]diselanyl]propanoate
CID 141380072
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid
CID 140542965
2,3-diaminopropanoic acid
CID 160927094
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid?
The IUPAC name of 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid (CID 15104) is 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid is NC(C[Se][Se]CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid?
The InChIKey is JULROCUWKLNBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4Se2/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).
What are the key properties of 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid?
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid has a molecular weight of 334.09 g/mol, XLogP of -2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid is sourced from PubChem (CID 15104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).