ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate

C15H23NO3S — CID 134940254

IUPACethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-6-19-14(17)13(16-20(18)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3/t13-,20-/m1/s1
InChIKeyQDSDHZSFBDONNL-ZUOKHONESA-N
MW297.42 g/mol
LogP2.65
Rot. Bonds5

About ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate (PubChem CID 134940254) 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]-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
PubChem CID134940254
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1C
InChIInChI=1S/C15H23NO3S/c1-6-19-14(17)13(16-20(18)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3/t13-,20-/m1/s1
InChIKeyQDSDHZSFBDONNL-ZUOKHONESA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-methylphenyl)acetic acid
CID 1501939
Methyl phenylglycine
CID 117324
Methyl (R)-aminophenylacetate
CID 90514
2-Amino-2-(2-methylphenyl)acetic acid
CID 2772353
Amino-o-tolyl-acetic acid methyl ester hydrochloride
CID 17998897
(S)-(+)-2-Phenylglycine methyl ester hydrochloride
CID 11217910
Ethyl 2-Amino-2-Phenylacetate Hydrochloride
CID 2781252
Phenamacide
CID 35719
Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate
CID 2765029
Ethyl phenylglycinate, DL-
CID 409886
[2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride
CID 35718
Octyl amino(phenyl)acetate--hydrogen chloride (1/1)
CID 50450

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate (CID 134940254) is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate is CCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1C.
What is the InChIKey of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate?
The InChIKey is QDSDHZSFBDONNL-ZUOKHONESA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-19-14(17)13(16-20(18)15(3,4)5)12-10-8-7-9-11(12)2/h7-10,13,16H,6H2,1-5H3/t13-,20-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate?
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate has a molecular weight of 297.42 g/mol, XLogP of 2.65, 5 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]-2-(2-methylphenyl)acetate is sourced from PubChem (CID 134940254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).