(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid

C9H16N2O4Se2 — CID 140542965

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid
SMILESC=CCC([Se][Se]C[C@H](N)C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C9H16N2O4Se2/c1-2-3-6(7(11)9(14)15)17-16-4-5(10)8(12)13/h2,5-7H,1,3-4,10-11H2,(H,12,13)(H,14,15)/t5-,6?,7-/m0/s1
InChIKeyGZBHOWWLTUCMKK-LOJRBXKRSA-N
MW374.16 g/mol
LogP-1.08
Rot. Bonds9

About (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid (PubChem CID 140542965) has the molecular formula C9H16N2O4Se2 and a molecular weight of 374.16 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid
PubChem CID140542965
Molecular FormulaC9H16N2O4Se2
Molecular Weight374.16 g/mol
Exact Mass375.94
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid
SMILESC=CCC([Se][Se]C[C@H](N)C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C9H16N2O4Se2/c1-2-3-6(7(11)9(14)15)17-16-4-5(10)8(12)13/h2,5-7H,1,3-4,10-11H2,(H,12,13)(H,14,15)/t5-,6?,7-/m0/s1
InChIKeyGZBHOWWLTUCMKK-LOJRBXKRSA-N
XLogP-1.08
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid with MolForge

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Related Compounds

2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
CID 15104
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
(2R)-2-amino-3-prop-2-enylselanylpropanoic acid;hydrochloride
CID 154706634
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid
CID 163103371
2-amino-3-hydroxyselanylpropanoic acid
CID 175022065
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
(2S)-2-amino-3-methaneselenoylselanylpropanoic acid
CID 102413484
2,5-diaminohept-6-enoic acid
CID 19865707
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
(2R)-2-aminohept-6-enoic acid
CID 71352792
2,3-diaminopropanoic acid
CID 160927094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid (CID 140542965) is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid is C=CCC([Se][Se]C[C@H](N)C(=O)O)[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid?
The InChIKey is GZBHOWWLTUCMKK-LOJRBXKRSA-N. The full InChI is InChI=1S/C9H16N2O4Se2/c1-2-3-6(7(11)9(14)15)17-16-4-5(10)8(12)13/h2,5-7H,1,3-4,10-11H2,(H,12,13)(H,14,15)/t5-,6?,7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid?
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid has a molecular weight of 374.16 g/mol, XLogP of -1.08, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]hex-5-enoic acid is sourced from PubChem (CID 140542965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).