(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid

C11H10O3S — CID 901528

IUPAC(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
SMILESC[C@](O)(C(=O)O)c1cc2ccccc2s1
InChIInChI=1S/C11H10O3S/c1-11(14,10(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,14H,1H3,(H,12,13)/t11-/m1/s1
InChIKeyMEKMIZIZABFUNJ-LLVKDONJSA-N
MW222.27 g/mol
LogP2.19
Rot. Bonds2

About (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid

(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid (PubChem CID 901528) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
PubChem CID901528
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
SMILESC[C@](O)(C(=O)O)c1cc2ccccc2s1
InChIInChI=1S/C11H10O3S/c1-11(14,10(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,14H,1H3,(H,12,13)/t11-/m1/s1
InChIKeyMEKMIZIZABFUNJ-LLVKDONJSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
4-amino-3-(1-benzothiophen-2-yl)-3-methylbutanoic acid
CID 114911228
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
CID 114910856
2-(1-benzothiophen-2-yl)-4-phenylbutan-2-ol
CID 114910872
methyl 2-amino-2-(1-benzothiophen-2-yl)propanoate;hydrochloride
CID 66813077
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
2-(2,3-dimethylbutan-2-yl)-1-benzothiophene
CID 23150201
1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
CID 114910842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid (CID 901528) is (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid is C[C@](O)(C(=O)O)c1cc2ccccc2s1.
What is the InChIKey of (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid?
The InChIKey is MEKMIZIZABFUNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10O3S/c1-11(14,10(12)13)9-6-7-4-2-3-5-8(7)15-9/h2-6,14H,1H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid?
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid has a molecular weight of 222.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).