3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid

C16H21NO5S — CID 166331975

IUPAC3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H21NO5S/c18-16(19)14(8-11-6-7-22-10-11)17-23(20,21)15-9-13(15)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10H2,(H,18,19)
InChIKeyNBVLCVGFQCTFAQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.34
Rot. Bonds7

About 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid

3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid (PubChem CID 166331975) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
PubChem CID166331975
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(CC1CCOC1)NS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H21NO5S/c18-16(19)14(8-11-6-7-22-10-11)17-23(20,21)15-9-13(15)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10H2,(H,18,19)
InChIKeyNBVLCVGFQCTFAQ-UHFFFAOYSA-N
XLogP1.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid (CID 166331975) is 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid is O=C(O)C(CC1CCOC1)NS(=O)(=O)C1CC1c1ccccc1.
What is the InChIKey of 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
The InChIKey is NBVLCVGFQCTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c18-16(19)14(8-11-6-7-22-10-11)17-23(20,21)15-9-13(15)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10H2,(H,18,19).
What are the key properties of 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid?
3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid has a molecular weight of 339.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-2-[(2-phenylcyclopropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 166331975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).