4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid

C12H14N2O2S — CID 43522697

IUPAC4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nccc2sccc12
InChIInChI=1S/C12H14N2O2S/c1-14(7-2-3-11(15)16)12-9-5-8-17-10(9)4-6-13-12/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyVSZZBLWLGYTGEI-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.60
Rot. Bonds5

About 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid

4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid (PubChem CID 43522697) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
PubChem CID43522697
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1nccc2sccc12
InChIInChI=1S/C12H14N2O2S/c1-14(7-2-3-11(15)16)12-9-5-8-17-10(9)4-6-13-12/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyVSZZBLWLGYTGEI-UHFFFAOYSA-N
XLogP2.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthieno[3,2-c]pyridin-4-amine
CID 60923008
methyl 4-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 62004620
2-[propyl(thieno[3,2-c]pyridin-4-yl)amino]ethanol
CID 61425977
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
CID 66237388
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
CID 104555303
N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 60870418
3-thieno[3,2-c]pyridin-4-ylsulfanylbutanoic acid
CID 66113928
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
CID 43378933
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid (CID 43522697) is 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid is CN(CCCC(=O)O)c1nccc2sccc12.
What is the InChIKey of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid?
The InChIKey is VSZZBLWLGYTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(7-2-3-11(15)16)12-9-5-8-17-10(9)4-6-13-12/h4-6,8H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid?
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid has a molecular weight of 250.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid is sourced from PubChem (CID 43522697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).