(2S)-2-Amino-4-selanylbutanoic acid

C4H8NO2Se — CID 15894949

IUPAC—
SMILESN[C@@H](CC[Se])C(=O)O
InChIInChI=1S/C4H8NO2Se/c5-3(1-2-8)4(6)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyIGDAEYVCCNGPNW-VKHMYHEASA-N
MW181.07 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-2-Amino-4-selanylbutanoic acid

(2S)-2-Amino-4-selanylbutanoic acid (PubChem CID 15894949) has the molecular formula C4H8NO2Se and a molecular weight of 181.07 g/mol.

Molecular Properties

Compound Name(2S)-2-Amino-4-selanylbutanoic acid
PubChem CID15894949
Molecular FormulaC4H8NO2Se
Molecular Weight181.07 g/mol
Exact Mass181.97
IUPAC Name—
SMILESN[C@@H](CC[Se])C(=O)O
InChIInChI=1S/C4H8NO2Se/c5-3(1-2-8)4(6)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKeyIGDAEYVCCNGPNW-VKHMYHEASA-N
XLogP-0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,4-diaminobutanoic acid
CID 158725018
CID 163362392
CID 163362392
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-aminopentanedioic acid
CID 611
2-amino-4-sulfanylbutanoic acid
CID 778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-Amino-4-selanylbutanoic acid?
The IUPAC name of (2S)-2-Amino-4-selanylbutanoic acid (CID 15894949) is not available.
What is the SMILES notation for (2S)-2-Amino-4-selanylbutanoic acid?
The canonical SMILES for (2S)-2-Amino-4-selanylbutanoic acid is N[C@@H](CC[Se])C(=O)O.
What is the InChIKey of (2S)-2-Amino-4-selanylbutanoic acid?
The InChIKey is IGDAEYVCCNGPNW-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8NO2Se/c5-3(1-2-8)4(6)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-2-Amino-4-selanylbutanoic acid?
(2S)-2-Amino-4-selanylbutanoic acid has a molecular weight of 181.07 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-Amino-4-selanylbutanoic acid is sourced from PubChem (CID 15894949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).