2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid

C10H13NO2S — CID 43101067

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-7(10(12)13)11-4-2-9-8(6-11)3-5-14-9/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyMTOVARVGTPVEDF-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.58
Rot. Bonds2

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid (PubChem CID 43101067) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
PubChem CID43101067
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-7(10(12)13)11-4-2-9-8(6-11)3-5-14-9/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyMTOVARVGTPVEDF-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 41367120
5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369206
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 41367549
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)acetic acid
CID 141122173
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 51313786
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid (CID 43101067) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid is CC(C(=O)O)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid?
The InChIKey is MTOVARVGTPVEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(10(12)13)11-4-2-9-8(6-11)3-5-14-9/h3,5,7H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid has a molecular weight of 211.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 43101067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).