3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid

C14H19NO4S — CID 124697893

IUPAC3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCc1ccsc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1
InChIInChI=1S/C14H19NO4S/c1-10-5-8-20-13(10)14(18)15(6-4-12(16)17)9-11-3-2-7-19-11/h5,8,11H,2-4,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyXOZWATWAOGWSOA-LLVKDONJSA-N
MW297.38 g/mol
LogP2.15
Rot. Bonds6

About 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid

3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid (PubChem CID 124697893) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
PubChem CID124697893
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCc1ccsc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1
InChIInChI=1S/C14H19NO4S/c1-10-5-8-20-13(10)14(18)15(6-4-12(16)17)9-11-3-2-7-19-11/h5,8,11H,2-4,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyXOZWATWAOGWSOA-LLVKDONJSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209798
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-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
CID 132971426
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[[1-(2-methylphenyl)pyrazole-4-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697276
3-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209794
3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154192
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The IUPAC name of 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid (CID 124697893) is 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid is Cc1ccsc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1.
What is the InChIKey of 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The InChIKey is XOZWATWAOGWSOA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-5-8-20-13(10)14(18)15(6-4-12(16)17)9-11-3-2-7-19-11/h5,8,11H,2-4,6-7,9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 124697893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).