2-(1-benzothiophen-5-ylamino)propanoic acid

C11H11NO2S — CID 65475467

IUPAC2-(1-benzothiophen-5-ylamino)propanoic acid
SMILESCC(Nc1ccc2sccc2c1)C(=O)O
InChIInChI=1S/C11H11NO2S/c1-7(11(13)14)12-9-2-3-10-8(6-9)4-5-15-10/h2-7,12H,1H3,(H,13,14)
InChIKeyQCDAMGVLMCQKIX-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.79
Rot. Bonds3

About 2-(1-benzothiophen-5-ylamino)propanoic acid

2-(1-benzothiophen-5-ylamino)propanoic acid (PubChem CID 65475467) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)propanoic acid
PubChem CID65475467
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(1-benzothiophen-5-ylamino)propanoic acid
SMILESCC(Nc1ccc2sccc2c1)C(=O)O
InChIInChI=1S/C11H11NO2S/c1-7(11(13)14)12-9-2-3-10-8(6-9)4-5-15-10/h2-7,12H,1H3,(H,13,14)
InChIKeyQCDAMGVLMCQKIX-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-5-ylamino)-2-cyclopropylacetic acid
CID 103252360
3-[1-benzothiophen-5-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 65451129
3-(1-benzothiophen-5-ylcarbamoylamino)butanoic acid
CID 65453593
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
N-[1-(2,4,5-trimethylphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687640
3-(1-benzothiophen-5-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821596
(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
5-(1-benzothiophen-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62935420

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)propanoic acid?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)propanoic acid (CID 65475467) is 2-(1-benzothiophen-5-ylamino)propanoic acid.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)propanoic acid?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)propanoic acid is CC(Nc1ccc2sccc2c1)C(=O)O.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)propanoic acid?
The InChIKey is QCDAMGVLMCQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(11(13)14)12-9-2-3-10-8(6-9)4-5-15-10/h2-7,12H,1H3,(H,13,14).
What are the key properties of 2-(1-benzothiophen-5-ylamino)propanoic acid?
2-(1-benzothiophen-5-ylamino)propanoic acid has a molecular weight of 221.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)propanoic acid is sourced from PubChem (CID 65475467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).