2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate

C15H17NO2S — CID 62878139

IUPAC2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
SMILESNCC(C(=O)OCCc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c16-11-14(12-5-2-1-3-6-12)15(17)18-9-8-13-7-4-10-19-13/h1-7,10,14H,8-9,11,16H2
InChIKeyGSWGJRWMIYQZHJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.58
Rot. Bonds6

About 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate

2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate (PubChem CID 62878139) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
PubChem CID62878139
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
SMILESNCC(C(=O)OCCc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c16-11-14(12-5-2-1-3-6-12)15(17)18-9-8-13-7-4-10-19-13/h1-7,10,14H,8-9,11,16H2
InChIKeyGSWGJRWMIYQZHJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
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3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
CID 62479012
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
CID 63073472
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
1-phenyl-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55017191
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CID 54966664

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate?
The IUPAC name of 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate (CID 62878139) is 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate is NCC(C(=O)OCCc1cccs1)c1ccccc1.
What is the InChIKey of 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate?
The InChIKey is GSWGJRWMIYQZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c16-11-14(12-5-2-1-3-6-12)15(17)18-9-8-13-7-4-10-19-13/h1-7,10,14H,8-9,11,16H2.
What are the key properties of 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate?
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate has a molecular weight of 275.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate is sourced from PubChem (CID 62878139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).