ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate

C15H23NO3S — CID 10756445

IUPACethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-14(17)13(16-20(18)15(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,16H,5,11H2,1-4H3/t13-,20-/m1/s1
InChIKeyWZCPMEODENQWBU-ZUOKHONESA-N
MW297.42 g/mol
LogP2.21
Rot. Bonds6

About ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate (PubChem CID 10756445) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
PubChem CID10756445
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccc1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-5-19-14(17)13(16-20(18)15(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,16H,5,11H2,1-4H3/t13-,20-/m1/s1
InChIKeyWZCPMEODENQWBU-ZUOKHONESA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(tert-butylsulfinylamino)-3-(4-chlorophenyl)propanoate
CID 72669587
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135
ethyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)-3-phenylpropanoate
CID 102507934
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-[[(S)-tert-butylsulfinyl]amino]-4-phenylpent-4-enoate
CID 11602245
ethyl (2R)-2-[(4-methylphenyl)sulfinylamino]-3-phenylpropanoate
CID 100970431
ethyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-methylidene-5-phenylpentanoate
CID 71573468
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
CID 134940254
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate (CID 10756445) is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate is CCOC(=O)[C@@H](Cc1ccccc1)N[S@](=O)C(C)(C)C.
What is the InChIKey of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate?
The InChIKey is WZCPMEODENQWBU-ZUOKHONESA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-19-14(17)13(16-20(18)15(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,16H,5,11H2,1-4H3/t13-,20-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate?
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate has a molecular weight of 297.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 10756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).