3-amino-3-(4-phenylthiophen-2-yl)propanoic acid

C13H13NO2S — CID 53417380

IUPAC3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H13NO2S/c14-11(7-13(15)16)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-6,8,11H,7,14H2,(H,15,16)
InChIKeyNQAQVJPJEUSZQM-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid

3-amino-3-(4-phenylthiophen-2-yl)propanoic acid (PubChem CID 53417380) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
PubChem CID53417380
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H13NO2S/c14-11(7-13(15)16)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-6,8,11H,7,14H2,(H,15,16)
InChIKeyNQAQVJPJEUSZQM-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-chlorothiophen-2-yl)propanoic acid
CID 15311718
(4-phenylthiophen-2-yl)-thiophen-2-ylmethanol
CID 16641209
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
3-amino-3-(5-benzylthiophen-2-yl)propanoic acid
CID 135367524
4,4,4-trifluoro-3-oxo-2-(4-phenylthiophen-2-yl)butanenitrile
CID 19934627
3-(methylamino)-1-(4-phenylthiophen-2-yl)propane-1,2-diol
CID 171859280
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
4-(4-phenylthiophen-2-yl)butanoic acid
CID 165409992
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
(3R)-3-amino-3-(5-fluorothiophen-2-yl)propanoic acid
CID 130682565
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid (CID 53417380) is 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid is NC(CC(=O)O)c1cc(-c2ccccc2)cs1.
What is the InChIKey of 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid?
The InChIKey is NQAQVJPJEUSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c14-11(7-13(15)16)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-6,8,11H,7,14H2,(H,15,16).
What are the key properties of 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid?
3-amino-3-(4-phenylthiophen-2-yl)propanoic acid has a molecular weight of 247.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-phenylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 53417380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).