methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate

C15H17NO2S — CID 59107325

IUPACmethyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)14(10-12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3/t14-/m0/s1
InChIKeyZOBTYUWXLZUZLR-AWEZNQCLSA-N
MW275.37 g/mol
LogP2.62
Rot. Bonds6

About methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate

methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate (PubChem CID 59107325) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
PubChem CID59107325
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)14(10-12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3/t14-/m0/s1
InChIKeyZOBTYUWXLZUZLR-AWEZNQCLSA-N
XLogP2.62
TPSA38.33 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
ethyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881288
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
methyl 2-[(benzylamino)methyl]-3-thiophen-2-ylpropanoate
CID 102459242
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
CID 174369868
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate (CID 59107325) is methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NCc1cccs1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
The InChIKey is ZOBTYUWXLZUZLR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-15(17)14(10-12-6-3-2-4-7-12)16-11-13-8-5-9-19-13/h2-9,14,16H,10-11H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate?
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate has a molecular weight of 275.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate is sourced from PubChem (CID 59107325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).