1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid

C10H11NO3S — CID 130645542

IUPAC1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC2C(=O)O)s1
InChIInChI=1S/C10H11NO3S/c1-6-2-3-8(15-6)9(12)11-5-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyFQAVBVWNMHMVOX-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.36
Rot. Bonds2

About 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid

1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid (PubChem CID 130645542) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
PubChem CID130645542
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC2C(=O)O)s1
InChIInChI=1S/C10H11NO3S/c1-6-2-3-8(15-6)9(12)11-5-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14)
InChIKeyFQAVBVWNMHMVOX-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
(2R)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 97284605
1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 72929172
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 129395089

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid (CID 130645542) is 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid is Cc1ccc(C(=O)N2CCC2C(=O)O)s1.
What is the InChIKey of 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid?
The InChIKey is FQAVBVWNMHMVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-6-2-3-8(15-6)9(12)11-5-4-7(11)10(13)14/h2-3,7H,4-5H2,1H3,(H,13,14).
What are the key properties of 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid?
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 130645542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).