2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid

C11H11NO3S — CID 115072967

IUPAC2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCc1sc2ccc(O)cc2c1C(N)C(=O)O
InChIInChI=1S/C11H11NO3S/c1-5-9(10(12)11(14)15)7-4-6(13)2-3-8(7)16-5/h2-4,10,13H,12H2,1H3,(H,14,15)
InChIKeyWBSKQNXPUJBEKS-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.00
Rot. Bonds2

About 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid

2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid (PubChem CID 115072967) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
PubChem CID115072967
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCc1sc2ccc(O)cc2c1C(N)C(=O)O
InChIInChI=1S/C11H11NO3S/c1-5-9(10(12)11(14)15)7-4-6(13)2-3-8(7)16-5/h2-4,10,13H,12H2,1H3,(H,14,15)
InChIKeyWBSKQNXPUJBEKS-UHFFFAOYSA-N
XLogP2.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid (CID 115072967) is 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid is Cc1sc2ccc(O)cc2c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
The InChIKey is WBSKQNXPUJBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-5-9(10(12)11(14)15)7-4-6(13)2-3-8(7)16-5/h2-4,10,13H,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid?
2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid has a molecular weight of 237.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-hydroxy-2-methyl-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 115072967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).