methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate

C11H21NO4S — CID 129410526

IUPACmethyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate
SMILESCOC(=O)[C@H](C)C1(N[S@](=O)C(C)(C)C)COC1
InChIInChI=1S/C11H21NO4S/c1-8(9(13)15-5)11(6-16-7-11)12-17(14)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-,17+/m0/s1
InChIKeyQZBVVTBURWHEFT-WNWIJWBNSA-N
MW263.36 g/mol
LogP0.62
Rot. Bonds4

About methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate

methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate (PubChem CID 129410526) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate
PubChem CID129410526
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate
SMILESCOC(=O)[C@H](C)C1(N[S@](=O)C(C)(C)C)COC1
InChIInChI=1S/C11H21NO4S/c1-8(9(13)15-5)11(6-16-7-11)12-17(14)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-,17+/m0/s1
InChIKeyQZBVVTBURWHEFT-WNWIJWBNSA-N
XLogP0.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate 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

(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide
CID 124585701
2-(tert-butylsulfinylamino)-N'-hydroxy-2-(3-methyloxetan-3-yl)ethanimidamide
CID 90204568
2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
CID 67958161
2-[3-(tert-butylsulfinylamino)oxetan-3-yl]thiophene-3-carboxylic acid
CID 169025877
(3-methoxycarbonyloxetan-3-yl)methanesulfinic acid
CID 165455383
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
(R)-N-[(S)-cyano-(3-methyloxetan-3-yl)methyl]-2-methylpropane-2-sulfinamide
CID 129389859
methyl 3-(sulfinamoylmethyl)oxetane-3-carboxylate
CID 165452822
ethyl 2-[3-(phenylmethoxycarbonylamino)oxetan-3-yl]propanoate;2-[3-(phenylmethoxycarbonylamino)oxetan-3-yl]propanoic acid
CID 159072303
2-methyl-N-[3-(phenylsulfanylmethyl)oxetan-3-yl]propane-2-sulfinamide
CID 101494836
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate?
The IUPAC name of methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate (CID 129410526) is methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate is COC(=O)[C@H](C)C1(N[S@](=O)C(C)(C)C)COC1.
What is the InChIKey of methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate?
The InChIKey is QZBVVTBURWHEFT-WNWIJWBNSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(9(13)15-5)11(6-16-7-11)12-17(14)10(2,3)4/h8,12H,6-7H2,1-5H3/t8-,17+/m0/s1.
What are the key properties of methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate?
methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate has a molecular weight of 263.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate is sourced from PubChem (CID 129410526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).