3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid

C16H18N2O4S — CID 132971426

IUPAC3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CC1CCCO1)C(=O)c1cncc2sccc12
InChIInChI=1S/C16H18N2O4S/c19-15(20)3-5-18(10-11-2-1-6-22-11)16(21)13-8-17-9-14-12(13)4-7-23-14/h4,7-9,11H,1-3,5-6,10H2,(H,19,20)
InChIKeyWKEWHJAINNKHDF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.39
Rot. Bonds6

About 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid

3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 132971426) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
PubChem CID132971426
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CC1CCCO1)C(=O)c1cncc2sccc12
InChIInChI=1S/C16H18N2O4S/c19-15(20)3-5-18(10-11-2-1-6-22-11)16(21)13-8-17-9-14-12(13)4-7-23-14/h4,7-9,11H,1-3,5-6,10H2,(H,19,20)
InChIKeyWKEWHJAINNKHDF-UHFFFAOYSA-N
XLogP2.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209798
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209828
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209719
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125150579
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071

Frequently Asked Questions

What is the IUPAC name of 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid (CID 132971426) is 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid is O=C(O)CCN(CC1CCCO1)C(=O)c1cncc2sccc12.
What is the InChIKey of 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is WKEWHJAINNKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-15(20)3-5-18(10-11-2-1-6-22-11)16(21)13-8-17-9-14-12(13)4-7-23-14/h4,7-9,11H,1-3,5-6,10H2,(H,19,20).
What are the key properties of 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid?
3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 334.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 132971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).