(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid

C14H15NO3 — CID 124813760

IUPAC(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)[C@@]2(Cc3ccccc3C2=O)C1
InChIInChI=1S/C14H15NO3/c1-15-7-11(13(17)18)14(8-15)6-9-4-2-3-5-10(9)12(14)16/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-,14+/m0/s1
InChIKeyQPJACMHLISCDJD-SMDDNHRTSA-N
MW245.28 g/mol
LogP1.06
Rot. Bonds1

About (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid

(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid (PubChem CID 124813760) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid.

Molecular Properties

Compound Name(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
PubChem CID124813760
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)[C@@]2(Cc3ccccc3C2=O)C1
InChIInChI=1S/C14H15NO3/c1-15-7-11(13(17)18)14(8-15)6-9-4-2-3-5-10(9)12(14)16/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-,14+/m0/s1
InChIKeyQPJACMHLISCDJD-SMDDNHRTSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4'-(4-acetyl-1,4-diazepane-1-carbonyl)-1'-methylspiro[3H-indene-2,3'-pyrrolidine]-1-one
CID 110245618
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473558
2-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 22467008
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
CID 62705981
CID 62705981
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
(2S,2'R)-2'-(4-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473555
1-benzoylspiro[2H-indole-3,2'-3H-indene]-1'-one
CID 164674379
S-[(2-methyl-3-oxo-1H-inden-2-yl)] N-aminocarbamothioate
CID 56633291
CID 71561309
CID 71561309
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548

Frequently Asked Questions

What is the IUPAC name of (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid?
The IUPAC name of (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid (CID 124813760) is (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid.
What is the SMILES notation for (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid?
The canonical SMILES for (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid is CN1C[C@@H](C(=O)O)[C@@]2(Cc3ccccc3C2=O)C1.
What is the InChIKey of (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid?
The InChIKey is QPJACMHLISCDJD-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-7-11(13(17)18)14(8-15)6-9-4-2-3-5-10(9)12(14)16/h2-5,11H,6-8H2,1H3,(H,17,18)/t11-,14+/m0/s1.
What are the key properties of (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid?
(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid is sourced from PubChem (CID 124813760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).