3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

C22H19FN2O5 — CID 58305273

IUPAC3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESCC1(C)C[C@@]12C(=O)N(c1cc(C(=O)O)cc(N3CCOC3=O)c1)c1ccc(F)cc12
InChIInChI=1S/C22H19FN2O5/c1-21(2)11-22(21)16-9-13(23)3-4-17(16)25(19(22)28)15-8-12(18(26)27)7-14(10-15)24-5-6-30-20(24)29/h3-4,7-10H,5-6,11H2,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyPIBLBUDSHKPWBE-JOCHJYFZSA-N
MW410.40 g/mol
LogP3.83
Rot. Bonds3

About 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid

3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (PubChem CID 58305273) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
PubChem CID58305273
Molecular FormulaC22H19FN2O5
Molecular Weight410.40 g/mol
Exact Mass410.13
IUPAC Name3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
SMILESCC1(C)C[C@@]12C(=O)N(c1cc(C(=O)O)cc(N3CCOC3=O)c1)c1ccc(F)cc12
InChIInChI=1S/C22H19FN2O5/c1-21(2)11-22(21)16-9-13(23)3-4-17(16)25(19(22)28)15-8-12(18(26)27)7-14(10-15)24-5-6-30-20(24)29/h3-4,7-10H,5-6,11H2,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyPIBLBUDSHKPWBE-JOCHJYFZSA-N
XLogP3.83
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The IUPAC name of 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid (CID 58305273) is 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid.
What is the SMILES notation for 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The canonical SMILES for 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is CC1(C)C[C@@]12C(=O)N(c1cc(C(=O)O)cc(N3CCOC3=O)c1)c1ccc(F)cc12.
What is the InChIKey of 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
The InChIKey is PIBLBUDSHKPWBE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-21(2)11-22(21)16-9-13(23)3-4-17(16)25(19(22)28)15-8-12(18(26)27)7-14(10-15)24-5-6-30-20(24)29/h3-4,7-10H,5-6,11H2,1-2H3,(H,26,27)/t22-/m1/s1.
What are the key properties of 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid?
3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid has a molecular weight of 410.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid is sourced from PubChem (CID 58305273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).