3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid

C14H15NO2S — CID 20720633

IUPAC3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H15NO2S/c16-14(17)13(9-11-5-2-1-3-6-11)15-10-12-7-4-8-18-12/h1-8,13,15H,9-10H2,(H,16,17)
InChIKeyZTVKBDYBGJBGDC-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.53
Rot. Bonds6

About 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid

3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid (PubChem CID 20720633) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
PubChem CID20720633
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C14H15NO2S/c16-14(17)13(9-11-5-2-1-3-6-11)15-10-12-7-4-8-18-12/h1-8,13,15H,9-10H2,(H,16,17)
InChIKeyZTVKBDYBGJBGDC-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
(2R)-3-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 26896563
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 10633991
2-(thiophen-2-ylmethylamino)pentanedioic acid
CID 4120536
ethyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881288
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid (CID 20720633) is 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid is O=C(O)C(Cc1ccccc1)NCc1cccs1.
What is the InChIKey of 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid?
The InChIKey is ZTVKBDYBGJBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c16-14(17)13(9-11-5-2-1-3-6-11)15-10-12-7-4-8-18-12/h1-8,13,15H,9-10H2,(H,16,17).
What are the key properties of 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid?
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid has a molecular weight of 261.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 20720633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).