2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid

C14H15NO2S — CID 66172307

IUPAC2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
SMILESCC(NC(c1ccccc1)c1cccs1)C(=O)O
InChIInChI=1S/C14H15NO2S/c1-10(14(16)17)15-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,15H,1H3,(H,16,17)
InChIKeyGZQDYJPBFQFHAK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds5

About 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid

2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid (PubChem CID 66172307) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
PubChem CID66172307
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
SMILESCC(NC(c1ccccc1)c1cccs1)C(=O)O
InChIInChI=1S/C14H15NO2S/c1-10(14(16)17)15-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,15H,1H3,(H,16,17)
InChIKeyGZQDYJPBFQFHAK-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051044
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
CID 8864137
(2S)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8866707
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051577
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9030001
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299

Frequently Asked Questions

What is the IUPAC name of 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid (CID 66172307) is 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid is CC(NC(c1ccccc1)c1cccs1)C(=O)O.
What is the InChIKey of 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid?
The InChIKey is GZQDYJPBFQFHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(14(16)17)15-13(12-8-5-9-18-12)11-6-3-2-4-7-11/h2-10,13,15H,1H3,(H,16,17).
What are the key properties of 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid?
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid has a molecular weight of 261.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 66172307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).