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

Endorphenyl
CID 6925665
Ethyl 3-phenyl-DL-alaninate
CID 102688
L-Phenylalanine, 23
CID 57397115
L-Phenylalanine, methyl ester
CID 736234
Methyl L-phenylalaninate hydrochloride
CID 75736
(R)-Methyl 2-amino-3-phenylpropanoate
CID 853474
Methyl 3-phenyl-DL-alaninate hydrochloride
CID 3084017
tert-butyl (2S)-2-amino-3-phenylpropanoate
CID 6931633
L-Phenylalanine, 1,1-dimethylethyl ester, hydrochloride (1:1)
CID 11459563
(2R)-2-azaniumyl-3-phenylpropanoate
CID 6919011
methyl (2S)-2-(2-methylpropylsulfamoylamino)-3-phenylpropanoate
CID 127035861
methyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]sulfamoylamino]-3-phenylpropanoate
CID 10717006

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).