ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate

C20H25NO2Se — CID 101397119

IUPACethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
SMILESCCOC(=O)[C@H]([Se]c1ccccc1)[C@@H](C)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-4-23-20(22)19(24-18-13-9-6-10-14-18)16(3)21-15(2)17-11-7-5-8-12-17/h5-16,19,21H,4H2,1-3H3/t15-,16-,19-/m1/s1
InChIKeyFFALNQFTLSZSDS-GPMSIDNRSA-N
MW390.39 g/mol
LogP3.11
Rot. Bonds8

About ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate

ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate (PubChem CID 101397119) has the molecular formula C20H25NO2Se and a molecular weight of 390.39 g/mol. Its IUPAC name is ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
PubChem CID101397119
Molecular FormulaC20H25NO2Se
Molecular Weight390.39 g/mol
Exact Mass391.11
IUPAC Nameethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate
SMILESCCOC(=O)[C@H]([Se]c1ccccc1)[C@@H](C)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-4-23-20(22)19(24-18-13-9-6-10-14-18)16(3)21-15(2)17-11-7-5-8-12-17/h5-16,19,21H,4H2,1-3H3/t15-,16-,19-/m1/s1
InChIKeyFFALNQFTLSZSDS-GPMSIDNRSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
CID 18692564
ethyl (2R,3R)-3-hydroxy-4-methyl-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]-4-phenylsulfanylpentanoate
CID 11384475
ethyl 4-methyl-2-[(1S)-1-phenylethyl]imino-3-phenylselanylpentanoate
CID 101000301
ethyl (2S)-2-phenylpropanoate
CID 7204861
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
2-(1-phenylethylamino)butanamide
CID 62899453
ethyl 2-amino-3-oxo-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 104877608
ethyl 2-(4-methylphenyl)-2-phenylselanylacetate
CID 15180539
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate?
The IUPAC name of ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate (CID 101397119) is ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate.
What is the SMILES notation for ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate?
The canonical SMILES for ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate is CCOC(=O)[C@H]([Se]c1ccccc1)[C@@H](C)N[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate?
The InChIKey is FFALNQFTLSZSDS-GPMSIDNRSA-N. The full InChI is InChI=1S/C20H25NO2Se/c1-4-23-20(22)19(24-18-13-9-6-10-14-18)16(3)21-15(2)17-11-7-5-8-12-17/h5-16,19,21H,4H2,1-3H3/t15-,16-,19-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate?
ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate has a molecular weight of 390.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-[[(1R)-1-phenylethyl]amino]-2-phenylselanylbutanoate is sourced from PubChem (CID 101397119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).