4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid

C12H16N2O3S — CID 122023007

IUPAC4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H16N2O3S/c15-11(16)2-1-5-13-12(17)14-6-3-9-4-7-18-10(9)8-14/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16)
InChIKeyRUCKDIAZNPFWLO-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.68
Rot. Bonds4

About 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid

4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid (PubChem CID 122023007) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
PubChem CID122023007
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H16N2O3S/c15-11(16)2-1-5-13-12(17)14-6-3-9-4-7-18-10(9)8-14/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16)
InChIKeyRUCKDIAZNPFWLO-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid with MolForge

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Related Compounds

4-[(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022954
4-[(6-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022690
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
4-[(8-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122021791
4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanoic acid
CID 43473809
4-[(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022945
4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122021420
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]butanoic acid
CID 122022714
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
7-(1,3-dihydroisoindole-2-carbonylamino)heptanoic acid
CID 62230506

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid?
The IUPAC name of 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid (CID 122023007) is 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid?
The canonical SMILES for 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid is O=C(O)CCCNC(=O)N1CCc2ccsc2C1.
What is the InChIKey of 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid?
The InChIKey is RUCKDIAZNPFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(16)2-1-5-13-12(17)14-6-3-9-4-7-18-10(9)8-14/h4,7H,1-3,5-6,8H2,(H,13,17)(H,15,16).
What are the key properties of 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid?
4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid has a molecular weight of 268.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid is sourced from PubChem (CID 122023007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).