5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid

C14H15NO4 — CID 105359776

IUPAC5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CC2)CC(=O)NC1C(=O)O
InChIInChI=1S/C14H15NO4/c1-19-9-3-2-8-4-5-14(10(8)6-9)7-11(16)15-12(14)13(17)18/h2-3,6,12H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyWGSAINYRCWONPY-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.85
Rot. Bonds2

About 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid

5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid (PubChem CID 105359776) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
PubChem CID105359776
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CC2)CC(=O)NC1C(=O)O
InChIInChI=1S/C14H15NO4/c1-19-9-3-2-8-4-5-14(10(8)6-9)7-11(16)15-12(14)13(17)18/h2-3,6,12H,4-5,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyWGSAINYRCWONPY-UHFFFAOYSA-N
XLogP0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
ethane;(1S)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 142907152
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
2'-(bromomethyl)-5-methoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 81351637
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one
CID 98475276
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid?
The IUPAC name of 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid (CID 105359776) is 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid.
What is the SMILES notation for 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid?
The canonical SMILES for 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid is COc1ccc2c(c1)C1(CC2)CC(=O)NC1C(=O)O.
What is the InChIKey of 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid?
The InChIKey is WGSAINYRCWONPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-19-9-3-2-8-4-5-14(10(8)6-9)7-11(16)15-12(14)13(17)18/h2-3,6,12H,4-5,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid?
5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid is sourced from PubChem (CID 105359776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).