2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid

C8H16N2O4Se2 — CID 24496

IUPAC2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
SMILESNC(CC[Se][Se]CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKeyNBQXBIDZPLKFHR-UHFFFAOYSA-N
MW362.15 g/mol
LogP-1.25
Rot. Bonds9

About 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid

2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid (PubChem CID 24496) has the molecular formula C8H16N2O4Se2 and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
PubChem CID24496
Molecular FormulaC8H16N2O4Se2
Molecular Weight362.15 g/mol
Exact Mass363.94
IUPAC Name2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid
SMILESNC(CC[Se][Se]CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKeyNBQXBIDZPLKFHR-UHFFFAOYSA-N
XLogP-1.25
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 5-1.25
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,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-methylselanylbutanoic acid;hydrochloride
CID 87967506
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,4-diaminobutanoic acid
CID 158725018
2-aminoethanol;(2S)-2-amino-4-methylselanylbutanoic acid
CID 73440789
(2S)-2-Amino-4-selanylbutanoic acid
CID 15894949
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid?
The IUPAC name of 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid (CID 24496) is 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid?
The canonical SMILES for 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid is NC(CC[Se][Se]CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid?
The InChIKey is NBQXBIDZPLKFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14).
What are the key properties of 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid?
2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid has a molecular weight of 362.15 g/mol, XLogP of -1.25, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid is sourced from PubChem (CID 24496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).