(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid

C9H12O3S — CID 104875253

IUPAC(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
SMILESC[C@@H](OCCc1cccs1)C(=O)O
InChIInChI=1S/C9H12O3S/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyABFSEPGBYLIFLR-SSDOTTSWSA-N
MW200.26 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid

(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid (PubChem CID 104875253) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
PubChem CID104875253
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
SMILESC[C@@H](OCCc1cccs1)C(=O)O
InChIInChI=1S/C9H12O3S/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyABFSEPGBYLIFLR-SSDOTTSWSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
4,4,4-trifluoro-3-(2-thiophen-2-ylethoxy)butanoic acid
CID 63073638
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
1-phenyl-1-(2-thiophen-2-ylethoxy)propan-2-amine
CID 55017191
2-(2-thiophen-2-ylethoxy)butanehydrazide
CID 63568621
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid?
The IUPAC name of (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid (CID 104875253) is (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid is C[C@@H](OCCc1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid?
The InChIKey is ABFSEPGBYLIFLR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7(9(10)11)12-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid?
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid has a molecular weight of 200.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-thiophen-2-ylethoxy)propanoic acid is sourced from PubChem (CID 104875253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).