2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid

C15H14FNO3S — CID 119203139

IUPAC2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc2cc(F)ccc2s1)C1CC1
InChIInChI=1S/C15H14FNO3S/c1-8(15(19)20)17(11-3-4-11)14(18)13-7-9-6-10(16)2-5-12(9)21-13/h2,5-8,11H,3-4H2,1H3,(H,19,20)
InChIKeyWIFPZFFVLMMLPR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.12
Rot. Bonds4

About 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid

2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid (PubChem CID 119203139) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
PubChem CID119203139
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc2cc(F)ccc2s1)C1CC1
InChIInChI=1S/C15H14FNO3S/c1-8(15(19)20)17(11-3-4-11)14(18)13-7-9-6-10(16)2-5-12(9)21-13/h2,5-8,11H,3-4H2,1H3,(H,19,20)
InChIKeyWIFPZFFVLMMLPR-UHFFFAOYSA-N
XLogP3.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid
CID 3242118
N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 1477944
(4-Fluoro-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone
CID 1477947
(R)-2-(benzo[b]thiophene-2-carboxamido)-5-phenylpent-4-enoic acid
CID 46884264
n-Benzo[b]thiophene-2-ylcarbonyl-l-leucine methyl ester
CID 32044690
2-Amino-3-(1-benzothiophene-2-carbonylamino)propanoic acid
CID 44233911
(R)-2-(benzo[b]thiophene-2-carboxamido)-3-(3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid
CID 44414936
1-Benzothiophen-2-yl-(2-ethylpiperidin-1-yl)methanone
CID 172433773
N,N-diethyl-1-benzothiophene-2-carboxamide
CID 60659438
1-(1-Benzothiophene-2-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 46948131
(4-Fluoro-1-benzothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 32978773
5-ethyl-N-(4-fluorobenzyl)-N-[1-(hydroxymethyl)propyl]thiophene-2-carboxamide
CID 46984459

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid (CID 119203139) is 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc2cc(F)ccc2s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is WIFPZFFVLMMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-8(15(19)20)17(11-3-4-11)14(18)13-7-9-6-10(16)2-5-12(9)21-13/h2,5-8,11H,3-4H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119203139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).