2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid

C15H14FN3O6 — CID 146634863

IUPAC2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
SMILESCNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H14FN3O6/c1-17-13(23)18-9-3-2-8-7(11(9)16)4-5-15(8)12(22)19(6-10(20)21)14(24)25-15/h2-3H,4-6H2,1H3,(H,20,21)(H2,17,18,23)/t15-/m1/s1
InChIKeyWUNRYXVWLDZZFM-OAHLLOKOSA-N
MW351.29 g/mol
LogP0.78
Rot. Bonds3

About 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid

2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid (PubChem CID 146634863) has the molecular formula C15H14FN3O6 and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
PubChem CID146634863
Molecular FormulaC15H14FN3O6
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid
SMILESCNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H14FN3O6/c1-17-13(23)18-9-3-2-8-7(11(9)16)4-5-15(8)12(22)19(6-10(20)21)14(24)25-15/h2-3H,4-6H2,1H3,(H,20,21)(H2,17,18,23)/t15-/m1/s1
InChIKeyWUNRYXVWLDZZFM-OAHLLOKOSA-N
XLogP0.78
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid?
The IUPAC name of 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid (CID 146634863) is 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid?
The canonical SMILES for 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid is CNC(=O)Nc1ccc2c(c1F)CC[C@@]21OC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid?
The InChIKey is WUNRYXVWLDZZFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14FN3O6/c1-17-13(23)18-9-3-2-8-7(11(9)16)4-5-15(8)12(22)19(6-10(20)21)14(24)25-15/h2-3H,4-6H2,1H3,(H,20,21)(H2,17,18,23)/t15-/m1/s1.
What are the key properties of 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid?
2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid has a molecular weight of 351.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-7-fluoro-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetic acid is sourced from PubChem (CID 146634863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).