2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid

C10H12N2O4S — CID 107223804

IUPAC2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(O)CN(C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C10H12N2O4S/c1-10(16)4-12(5-10)9(15)11-7-6(8(13)14)2-3-17-7/h2-3,16H,4-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyWALKFODIGCOSPP-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.04
Rot. Bonds2

About 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid

2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 107223804) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID107223804
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1(O)CN(C(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C10H12N2O4S/c1-10(16)4-12(5-10)9(15)11-7-6(8(13)14)2-3-17-7/h2-3,16H,4-5H2,1H3,(H,11,15)(H,13,14)
InChIKeyWALKFODIGCOSPP-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107457208
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63114341
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 114490360
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66073512
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 114594297

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid (CID 107223804) is 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid is CC1(O)CN(C(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WALKFODIGCOSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-10(16)4-12(5-10)9(15)11-7-6(8(13)14)2-3-17-7/h2-3,16H,4-5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 107223804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).