ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate

C11H21NO3S — CID 125476863

IUPACethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
SMILESC=CC[C@@H](N[S@](=O)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H21NO3S/c1-6-8-9(10(13)15-7-2)12-16(14)11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-,16-/m1/s1
InChIKeyFXFHPESZTIEZME-JDNHERCYSA-N
MW247.36 g/mol
LogP1.55
Rot. Bonds6

About ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate (PubChem CID 125476863) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
PubChem CID125476863
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Nameethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
SMILESC=CC[C@@H](N[S@](=O)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H21NO3S/c1-6-8-9(10(13)15-7-2)12-16(14)11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-,16-/m1/s1
InChIKeyFXFHPESZTIEZME-JDNHERCYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]icosanoate
CID 53253667
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
ethyl 2-[[(S)-tert-butylsulfinyl]amino]-4-phenylpent-4-enoate
CID 11602245
ethyl 2-(tert-butylsulfinylamino)-3-(4-chlorophenyl)propanoate
CID 72669587
ethyl (2R)-2-tert-butylpent-4-enoate
CID 98010160
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl (2R)-2-(tert-butylsulfinylamino)-2-(4-methylphenyl)acetate
CID 102471388
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-[4-(trifluoromethyl)phenyl]pent-4-enoate
CID 11545609
ethyl 2-(ethenylamino)butanoate
CID 144998787
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
ethyl 4,4-dimethyl-2-(prop-2-enylamino)pentanoate
CID 62951544

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate?
The IUPAC name of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate (CID 125476863) is ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate?
The canonical SMILES for ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate is C=CC[C@@H](N[S@](=O)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate?
The InChIKey is FXFHPESZTIEZME-JDNHERCYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-6-8-9(10(13)15-7-2)12-16(14)11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-,16-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate?
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate has a molecular weight of 247.36 g/mol, XLogP of 1.55, 6 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]pent-4-enoate is sourced from PubChem (CID 125476863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).