5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid

C9H10N2O4S — CID 43453001

IUPAC5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H10N2O4S/c1-11(4-7(10)12)8(13)5-2-3-6(16-5)9(14)15/h2-3H,4H2,1H3,(H2,10,12)(H,14,15)
InChIKeyPMYNGYVQRFCYGN-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.00
Rot. Bonds4

About 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid

5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 43453001) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID43453001
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(N)=O)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C9H10N2O4S/c1-11(4-7(10)12)8(13)5-2-3-6(16-5)9(14)15/h2-3H,4H2,1H3,(H2,10,12)(H,14,15)
InChIKeyPMYNGYVQRFCYGN-UHFFFAOYSA-N
XLogP0.00
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid (CID 43453001) is 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid is CN(CC(N)=O)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is PMYNGYVQRFCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-11(4-7(10)12)8(13)5-2-3-6(16-5)9(14)15/h2-3H,4H2,1H3,(H2,10,12)(H,14,15).
What are the key properties of 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43453001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).