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

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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).