4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid

C13H16N2O5S — CID 66222900

IUPAC4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)c1cccs1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-7(14-12(17)10-3-2-4-21-10)11(16)15-9-6-20-5-8(9)13(18)19/h2-4,7-9H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyAMUFEUVCVRMOSX-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.08
Rot. Bonds5

About 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid

4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66222900) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66222900
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)c1cccs1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5S/c1-7(14-12(17)10-3-2-4-21-10)11(16)15-9-6-20-5-8(9)13(18)19/h2-4,7-9H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyAMUFEUVCVRMOSX-UHFFFAOYSA-N
XLogP0.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110903621
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
2-methyl-1-[2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372062
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42929757
N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39546590

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid (CID 66222900) is 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid is CC(NC(=O)c1cccs1)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is AMUFEUVCVRMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-7(14-12(17)10-3-2-4-21-10)11(16)15-9-6-20-5-8(9)13(18)19/h2-4,7-9H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid?
4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophene-2-carbonylamino)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).