5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

C11H13NO4S — CID 82369206

IUPAC5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCC(C(=O)O)N1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C11H13NO4S/c1-6(10(13)14)12-3-2-8-7(5-12)4-9(17-8)11(15)16/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyALHVXKKACHBPBW-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.28
Rot. Bonds3

About 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 82369206) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID82369206
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESCC(C(=O)O)N1CCc2sc(C(=O)O)cc2C1
InChIInChI=1S/C11H13NO4S/c1-6(10(13)14)12-3-2-8-7(5-12)4-9(17-8)11(15)16/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyALHVXKKACHBPBW-UHFFFAOYSA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
5-methyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid;hydrochloride
CID 122236295
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369281
5-(2,3-dihydroxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369235
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)propanoic acid
CID 82582321
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196
2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 122503344
(5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)methanamine
CID 82508197
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344

Frequently Asked Questions

What is the IUPAC name of 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (CID 82369206) is 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is CC(C(=O)O)N1CCc2sc(C(=O)O)cc2C1.
What is the InChIKey of 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is ALHVXKKACHBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-6(10(13)14)12-3-2-8-7(5-12)4-9(17-8)11(15)16/h4,6H,2-3,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carboxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 82369206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).