4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

C8H8N2O5S — CID 66437104

IUPAC4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESNC(=O)NC(=O)COc1csc(C(=O)O)c1
InChIInChI=1S/C8H8N2O5S/c9-8(14)10-6(11)2-15-4-1-5(7(12)13)16-3-4/h1,3H,2H2,(H,12,13)(H3,9,10,11,14)
InChIKeyQGMFNWOVLUWPPC-UHFFFAOYSA-N
MW244.23 g/mol
LogP0.02
Rot. Bonds4

About 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 66437104) has the molecular formula C8H8N2O5S and a molecular weight of 244.23 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID66437104
Molecular FormulaC8H8N2O5S
Molecular Weight244.23 g/mol
Exact Mass244.02
IUPAC Name4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESNC(=O)NC(=O)COc1csc(C(=O)O)c1
InChIInChI=1S/C8H8N2O5S/c9-8(14)10-6(11)2-15-4-1-5(7(12)13)16-3-4/h1,3H,2H2,(H,12,13)(H3,9,10,11,14)
InChIKeyQGMFNWOVLUWPPC-UHFFFAOYSA-N
XLogP0.02
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(carbamoylamino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 66439508
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439097
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
CID 66438211
4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436887
4-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436690
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 66437104) is 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is NC(=O)NC(=O)COc1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is QGMFNWOVLUWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5S/c9-8(14)10-6(11)2-15-4-1-5(7(12)13)16-3-4/h1,3H,2H2,(H,12,13)(H3,9,10,11,14).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 244.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).