3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid

C15H17NO4 — CID 117440018

IUPAC3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1N1OCCC1=O)C1CC1
InChIInChI=1S/C15H17NO4/c17-14-7-8-20-16(14)13-4-2-1-3-11(13)12(9-15(18)19)10-5-6-10/h1-4,10,12H,5-9H2,(H,18,19)
InChIKeyCXKZKOJBQIWUIY-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.32
Rot. Bonds5

About 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid

3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid (PubChem CID 117440018) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
PubChem CID117440018
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid
SMILESO=C(O)CC(c1ccccc1N1OCCC1=O)C1CC1
InChIInChI=1S/C15H17NO4/c17-14-7-8-20-16(14)13-4-2-1-3-11(13)12(9-15(18)19)10-5-6-10/h1-4,10,12H,5-9H2,(H,18,19)
InChIKeyCXKZKOJBQIWUIY-UHFFFAOYSA-N
XLogP2.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
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3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
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3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
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3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-7-yl)propanoic acid
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3-cyclopropyl-3-[2-(1,3-oxazol-2-yl)phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid (CID 117440018) is 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid is O=C(O)CC(c1ccccc1N1OCCC1=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid?
The InChIKey is CXKZKOJBQIWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14-7-8-20-16(14)13-4-2-1-3-11(13)12(9-15(18)19)10-5-6-10/h1-4,10,12H,5-9H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid?
3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(3-oxo-1,2-oxazolidin-2-yl)phenyl]propanoic acid is sourced from PubChem (CID 117440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).