ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate

C11H23NO2S — CID 64709276

IUPACethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
SMILESCCCSC(C)CC(C)(N)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-5-7-15-9(3)8-11(4,12)10(13)14-6-2/h9H,5-8,12H2,1-4H3
InChIKeyUMUMWWJXDUHBMN-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.19
Rot. Bonds7

About ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate

ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate (PubChem CID 64709276) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
PubChem CID64709276
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
SMILESCCCSC(C)CC(C)(N)C(=O)OCC
InChIInChI=1S/C11H23NO2S/c1-5-7-15-9(3)8-11(4,12)10(13)14-6-2/h9H,5-8,12H2,1-4H3
InChIKeyUMUMWWJXDUHBMN-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
CID 64712073
ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-methylpentanoate
CID 114791838
ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
ethyl 2-methyl-4-pentylsulfanyl-2-(propan-2-ylamino)pentanoate
CID 107755385
ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
CID 64712183
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
ethyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756311
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate (CID 64709276) is ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate is CCCSC(C)CC(C)(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate?
The InChIKey is UMUMWWJXDUHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-7-15-9(3)8-11(4,12)10(13)14-6-2/h9H,5-8,12H2,1-4H3.
What are the key properties of ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate?
ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate has a molecular weight of 233.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate is sourced from PubChem (CID 64709276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).