ethyl 2-amino-2-phenylsulfanylacetate

C10H13NO2S — CID 53443199

IUPACethyl 2-amino-2-phenylsulfanylacetate
SMILESCCOC(=O)C(N)Sc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKeyHHSVRDDUWXFZMS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-amino-2-phenylsulfanylacetate

ethyl 2-amino-2-phenylsulfanylacetate (PubChem CID 53443199) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-amino-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-phenylsulfanylacetate
PubChem CID53443199
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-amino-2-phenylsulfanylacetate
SMILESCCOC(=O)C(N)Sc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKeyHHSVRDDUWXFZMS-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
ethyl 2-methoxy-2-phenylsulfanylacetate
CID 15710955
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
1-ethoxy-1-phenylsulfanylpropan-2-one
CID 12622843
diethyl 2-(2-phenylsulfanylacetyl)propanedioate
CID 65143774
ethyl 2-(2-phenylethyl)-5,5-bis(phenylsulfanyl)pentanoate
CID 15501159
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-amino-3-(4-phenylsulfanylphenyl)propanoate;hydrochloride
CID 70109175
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl (2S,3S,4E)-3-hydroxy-4-phenylmethoxyimino-2-phenylsulfanylbutanoate
CID 25018944

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2-amino-2-phenylsulfanylacetate (CID 53443199) is ethyl 2-amino-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2-amino-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2-amino-2-phenylsulfanylacetate is CCOC(=O)C(N)Sc1ccccc1.
What is the InChIKey of ethyl 2-amino-2-phenylsulfanylacetate?
The InChIKey is HHSVRDDUWXFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3.
What are the key properties of ethyl 2-amino-2-phenylsulfanylacetate?
ethyl 2-amino-2-phenylsulfanylacetate has a molecular weight of 211.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-phenylsulfanylacetate is sourced from PubChem (CID 53443199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).