ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate

C14H21NO2S — CID 132543958

IUPACethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate
SMILESCCCSC(c1ccccc1)C(N)C(=O)OCC
InChIInChI=1S/C14H21NO2S/c1-3-10-18-13(11-8-6-5-7-9-11)12(15)14(16)17-4-2/h5-9,12-13H,3-4,10,15H2,1-2H3
InChIKeyZESOAPBZJPEUPJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.76
Rot. Bonds7

About ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate

ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate (PubChem CID 132543958) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate
PubChem CID132543958
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate
SMILESCCCSC(c1ccccc1)C(N)C(=O)OCC
InChIInChI=1S/C14H21NO2S/c1-3-10-18-13(11-8-6-5-7-9-11)12(15)14(16)17-4-2/h5-9,12-13H,3-4,10,15H2,1-2H3
InChIKeyZESOAPBZJPEUPJ-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-nitro-3-phenyl-3-propylsulfanylpropanoate
CID 132543955
sulfanyl 2-amino-3-ethylsulfanyl-3-phenylpropanoate
CID 153389530
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl (2R)-2-amino-3-chloro-3-phenylpropanoate
CID 54155299
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
ethyl 2-amino-3-chloro-3-phenylpropanoate
CID 14423202
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
diethyl 2-[phenyl(3-triethoxysilylpropylsulfanyl)methyl]propanedioate
CID 59305888
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate?
The IUPAC name of ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate (CID 132543958) is ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate?
The canonical SMILES for ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate is CCCSC(c1ccccc1)C(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate?
The InChIKey is ZESOAPBZJPEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-10-18-13(11-8-6-5-7-9-11)12(15)14(16)17-4-2/h5-9,12-13H,3-4,10,15H2,1-2H3.
What are the key properties of ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate?
ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate has a molecular weight of 267.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate is sourced from PubChem (CID 132543958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).