ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate

C9H19NO3S — CID 10751477

IUPACethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C9H19NO3S/c1-6-13-8(11)7(2)10-14(12)9(3,4)5/h7,10H,6H2,1-5H3/t7-,14+/m0/s1
InChIKeyJTJZESZHNOOBFQ-JKYUHCHBSA-N
MW221.32 g/mol
LogP0.99
Rot. Bonds4

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

ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate (PubChem CID 10751477) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
PubChem CID10751477
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Nameethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
SMILESCCOC(=O)[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C9H19NO3S/c1-6-13-8(11)7(2)10-14(12)9(3,4)5/h7,10H,6H2,1-5H3/t7-,14+/m0/s1
InChIKeyJTJZESZHNOOBFQ-JKYUHCHBSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
CID 125476863
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]icosanoate
CID 53253667
ethyl 3-[[(R)-tert-butylsulfinyl]amino]-5-methylhexanoate
CID 135006861
ethyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]-6-methylheptanoate
CID 71661937
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl (2R)-2-(tert-butylsulfinylamino)-2-(4-methylphenyl)acetate
CID 102471388
ethyl 2-(tert-butylsulfinylamino)-3-(4-chlorophenyl)propanoate
CID 72669587
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-methylphenyl)acetate
CID 134940254
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate (CID 10751477) is ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate is CCOC(=O)[C@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate?
The InChIKey is JTJZESZHNOOBFQ-JKYUHCHBSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-6-13-8(11)7(2)10-14(12)9(3,4)5/h7,10H,6H2,1-5H3/t7-,14+/m0/s1.
What are the key properties of ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate?
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate has a molecular weight of 221.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate is sourced from PubChem (CID 10751477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).