2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid

C16H21NO5S — CID 167762700

IUPAC2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO5S/c18-16(19)15(7-11-5-6-22-10-11)17-23(20,21)14-8-12-3-1-2-4-13(12)9-14/h1-4,11,14-15,17H,5-10H2,(H,18,19)
InChIKeyGVVQNPIWLFNMKK-UHFFFAOYSA-N
MW339.41 g/mol
LogP0.95
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid

2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid (PubChem CID 167762700) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
PubChem CID167762700
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO5S/c18-16(19)15(7-11-5-6-22-10-11)17-23(20,21)14-8-12-3-1-2-4-13(12)9-14/h1-4,11,14-15,17H,5-10H2,(H,18,19)
InChIKeyGVVQNPIWLFNMKK-UHFFFAOYSA-N
XLogP0.95
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
CID 166331975
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 167838567
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 136539877
(2S)-3-[(3S)-oxolan-3-yl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430238
3-(oxolan-3-yl)-2-[[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
CID 167898154
2-[(3,5-dimethylthiophen-2-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 154742673
2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128051
2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128072
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
CID 22441688
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 104933880

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid (CID 167762700) is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid is O=C(O)C(CC1CCOC1)NS(=O)(=O)C1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid?
The InChIKey is GVVQNPIWLFNMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c18-16(19)15(7-11-5-6-22-10-11)17-23(20,21)14-8-12-3-1-2-4-13(12)9-14/h1-4,11,14-15,17H,5-10H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid?
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid has a molecular weight of 339.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 167762700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).