ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate

C14H21NO3S — CID 15850589

IUPACethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-5-18-13(16)12(11-9-7-6-8-10-11)15-19(17)14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-,19-/m1/s1
InChIKeyUXDBAFHBOCIAMO-CWTRNNRKSA-N
MW283.39 g/mol
LogP2.34
Rot. Bonds5

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

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate (PubChem CID 15850589) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
PubChem CID15850589
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-5-18-13(16)12(11-9-7-6-8-10-11)15-19(17)14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-,19-/m1/s1
InChIKeyUXDBAFHBOCIAMO-CWTRNNRKSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-(tert-butylsulfinylamino)-2-(4-methylphenyl)acetate
CID 102471388
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
CID 134940254
ethyl 2-(tert-butylsulfinylamino)-2-(1-methylpyrrol-2-yl)acetate
CID 101496891
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(3-nitrophenyl)acetate
CID 16756032
ethyl (2R)-2-(tert-butylsulfinylamino)-2-(3-nitrophenyl)acetate
CID 102471394
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
ethyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)-3-phenylpropanoate
CID 102507934
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-hydroxynaphthalen-1-yl)acetate
CID 56839486
ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
CID 103601305
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl 2-[[(S)-tert-butylsulfinyl]amino]-4-phenylpent-4-enoate
CID 11602245

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate (CID 15850589) is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate is CCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate?
The InChIKey is UXDBAFHBOCIAMO-CWTRNNRKSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-18-13(16)12(11-9-7-6-8-10-11)15-19(17)14(2,3)4/h6-10,12,15H,5H2,1-4H3/t12-,19-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate?
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate has a molecular weight of 283.39 g/mol, XLogP of 2.34, 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-phenylacetate is sourced from PubChem (CID 15850589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).