2-(benzylamino)-2-thiophen-2-ylacetic acid

C13H13NO2S — CID 61346757

IUPAC2-(benzylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c15-13(16)12(11-7-4-8-17-11)14-9-10-5-2-1-3-6-10/h1-8,12,14H,9H2,(H,15,16)
InChIKeyLVUVTOMJWOIJOT-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.66
Rot. Bonds5

About 2-(benzylamino)-2-thiophen-2-ylacetic acid

2-(benzylamino)-2-thiophen-2-ylacetic acid (PubChem CID 61346757) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(benzylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-thiophen-2-ylacetic acid
PubChem CID61346757
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-(benzylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c15-13(16)12(11-7-4-8-17-11)14-9-10-5-2-1-3-6-10/h1-8,12,14H,9H2,(H,15,16)
InChIKeyLVUVTOMJWOIJOT-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2-(benzylamino)-2-(4-bromo-5-methylthiophen-2-yl)acetic acid
CID 102840631
2-(pyridin-4-ylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285189
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314555
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(benzylamino)-2-thiophen-2-ylacetic acid (CID 61346757) is 2-(benzylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(benzylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(benzylamino)-2-thiophen-2-ylacetic acid is O=C(O)C(NCc1ccccc1)c1cccs1.
What is the InChIKey of 2-(benzylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is LVUVTOMJWOIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-13(16)12(11-7-4-8-17-11)14-9-10-5-2-1-3-6-10/h1-8,12,14H,9H2,(H,15,16).
What are the key properties of 2-(benzylamino)-2-thiophen-2-ylacetic acid?
2-(benzylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 247.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 61346757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).