2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

C9H11N3O4S — CID 63113966

IUPAC2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(N)=O)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-12(4-6(10)13)9(16)11-7-5(8(14)15)2-3-17-7/h2-3H,4H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUERBMBIFSUKGSB-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.40
Rot. Bonds4

About 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid

2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63113966) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63113966
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
SMILESCN(CC(N)=O)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H11N3O4S/c1-12(4-6(10)13)9(16)11-7-5(8(14)15)2-3-17-7/h2-3H,4H2,1H3,(H2,10,13)(H,11,16)(H,14,15)
InChIKeyUERBMBIFSUKGSB-UHFFFAOYSA-N
XLogP0.40
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[3-methoxypropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114506
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
5-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-chlorobenzoic acid
CID 61197673
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 112662438

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid (CID 63113966) is 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is CN(CC(N)=O)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is UERBMBIFSUKGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-12(4-6(10)13)9(16)11-7-5(8(14)15)2-3-17-7/h2-3H,4H2,1H3,(H2,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid?
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).