tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate

C15H21NO3Se — CID 15408407

IUPACtert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](C=O)[Se]c1ccccc1
InChIInChI=1S/C15H21NO3Se/c1-11(16-14(18)19-15(2,3)4)13(10-17)20-12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyUYRNIMMZUPEKKS-WCQYABFASA-N
MW342.30 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate

tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate (PubChem CID 15408407) has the molecular formula C15H21NO3Se and a molecular weight of 342.30 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate
PubChem CID15408407
Molecular FormulaC15H21NO3Se
Molecular Weight342.30 g/mol
Exact Mass343.07
IUPAC Nametert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](C=O)[Se]c1ccccc1
InChIInChI=1S/C15H21NO3Se/c1-11(16-14(18)19-15(2,3)4)13(10-17)20-12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyUYRNIMMZUPEKKS-WCQYABFASA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 92980360
tert-butyl (R)-(4-oxo-1-(phenylthio)butan-2-yl)carbamate
CID 125496399
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoate
CID 11523310
tert-butyl N-[(2S,3S)-4-methyl-1-oxo-2-phenylselanylpentan-3-yl]carbamate
CID 15408412
tert-butyl N-[(2S)-3-methyl-1-phenylselanylbutan-2-yl]carbamate
CID 24874554
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylbutanoate
CID 72999342
2-trimethylsilylethyl (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylselanylbutanoate
CID 134918588
2-trimethylsilylethyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylselanylbutanoate
CID 134918889
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
phenylselanyl (2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trideuteriomethyl)butanoate
CID 58618369
tert-butyl N-[(E)-2-formyl-5-phenylpent-3-enyl]carbamate
CID 87420239
tert-butyl N-[(E,3S)-5-oxo-1-phenylpent-1-en-3-yl]carbamate
CID 87517117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate (CID 15408407) is tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H](C=O)[Se]c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate?
The InChIKey is UYRNIMMZUPEKKS-WCQYABFASA-N. The full InChI is InChI=1S/C15H21NO3Se/c1-11(16-14(18)19-15(2,3)4)13(10-17)20-12-8-6-5-7-9-12/h5-11,13H,1-4H3,(H,16,18)/t11-,13+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate has a molecular weight of 342.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-4-oxo-3-phenylselanylbutan-2-yl]carbamate is sourced from PubChem (CID 15408407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).