ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate

C17H27NO6S — CID 56839274

IUPACethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C17H27NO6S/c1-8-24-16(19)13(18-25(20)17(2,3)4)11-9-10-12(21-5)15(23-7)14(11)22-6/h9-10,13,18H,8H2,1-7H3/t13-,25-/m1/s1
InChIKeyOAEJDSMJMBXBFK-YMXBGEKHSA-N
MW373.47 g/mol
LogP2.37
Rot. Bonds8

About ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate (PubChem CID 56839274) has the molecular formula C17H27NO6S and a molecular weight of 373.47 g/mol. Its IUPAC name is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate
PubChem CID56839274
Molecular FormulaC17H27NO6S
Molecular Weight373.47 g/mol
Exact Mass373.16
IUPAC Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate
SMILESCCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C17H27NO6S/c1-8-24-16(19)13(18-25(20)17(2,3)4)11-9-10-12(21-5)15(23-7)14(11)22-6/h9-10,13,18H,8H2,1-7H3/t13-,25-/m1/s1
InChIKeyOAEJDSMJMBXBFK-YMXBGEKHSA-N
XLogP2.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-amino-2-(2,4-dimethoxyphenyl)acetate hydrochloride
CID 75415407
methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604185
methyl (2R)-2-amino-2-[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxy-4-methylphenyl]acetate
CID 11187821
methyl 2-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]but-3-enyl]-3,5-dimethoxybenzoate
CID 134940719
ethyl (2S)-2-amino-2-(2,4-dimethoxyphenyl)acetate
CID 134988037
Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate
CID 139192200
propan-2-yl (2S,3R)-2-amino-3-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)propanoate
CID 139256944
propan-2-yl (2S,3S)-2-amino-3-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)propanoate
CID 139256947
benzyl (2S)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 154721312
Methyl 2-amino-2-(2,4-dimethoxyphenyl)acetate
CID 60795820
Ethyl 2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetate
CID 60795939
Ethyl 2-amino-2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetate
CID 60796064

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate?
The IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate (CID 56839274) is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate is CCOC(=O)[C@H](N[S@](=O)C(C)(C)C)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate?
The InChIKey is OAEJDSMJMBXBFK-YMXBGEKHSA-N. The full InChI is InChI=1S/C17H27NO6S/c1-8-24-16(19)13(18-25(20)17(2,3)4)11-9-10-12(21-5)15(23-7)14(11)22-6/h9-10,13,18H,8H2,1-7H3/t13-,25-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate?
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate has a molecular weight of 373.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2,3,4-trimethoxyphenyl)acetate is sourced from PubChem (CID 56839274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).