5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid

C19H17NO5 — CID 91549998

IUPAC5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2C2(CC(CO)OC2=O)C1c1ccccc1
InChIInChI=1S/C19H17NO5/c21-11-13-10-19(17(22)25-13)14-8-4-5-9-15(14)20(18(23)24)16(19)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2,(H,23,24)
InChIKeyAPVIPCICLXTVIZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.47
Rot. Bonds2

About 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid

5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid (PubChem CID 91549998) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid.

Molecular Properties

Compound Name5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid
PubChem CID91549998
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid
SMILESO=C(O)N1c2ccccc2C2(CC(CO)OC2=O)C1c1ccccc1
InChIInChI=1S/C19H17NO5/c21-11-13-10-19(17(22)25-13)14-8-4-5-9-15(14)20(18(23)24)16(19)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2,(H,23,24)
InChIKeyAPVIPCICLXTVIZ-UHFFFAOYSA-N
XLogP2.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
CID 10994234
ethyl 2-[(3R)-3-[(3R)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
CID 11016059
1'-[(4-fluorophenyl)methyl]-5,6-dihydroxyspiro[5,6-dihydro-2H-1-benzofuran-3,3'-indole]-2'-one
CID 68096126
1-O-tert-butyl 3-O-ethyl 3-(3-methoxy-2-methyl-3-oxopropyl)-2H-indole-1,3-dicarboxylate
CID 11417929
ethyl (2'S,3R,4'R)-1-benzyl-4'-hydroxy-2-oxospiro[indole-3,3'-thiolane]-2'-carboxylate
CID 57384192
(3S,5R,6R)-1'-benzyl-5,6-dihydroxyspiro[cyclohexene-3,3'-indole]-2'-one;hydrate
CID 139089894
(2R,3R)-1'-benzyl-2-ethenyl-3-hydroxyspiro[cyclopentane-1,3'-indole]-2'-one
CID 154716244
1-Benzyl-3-(2-ethoxypropyl)-3-methylindol-2-one
CID 71623382
(2R,3S)-1-benzyl-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]spiro[2H-indole-3,3'-oxolane]-2'-one
CID 101928440
1-Benzylspiro[indole-3,4'-oxolane]-2,2'-dione
CID 10379624
1-Benzyl-2',2'-dimethylspiro[indole-3,3'-oxolane]-2-one
CID 23337736
2-(1,2'-Dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid
CID 23337740

Frequently Asked Questions

What is the IUPAC name of 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid?
The IUPAC name of 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid (CID 91549998) is 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid.
What is the SMILES notation for 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid?
The canonical SMILES for 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid is O=C(O)N1c2ccccc2C2(CC(CO)OC2=O)C1c1ccccc1.
What is the InChIKey of 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid?
The InChIKey is APVIPCICLXTVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c21-11-13-10-19(17(22)25-13)14-8-4-5-9-15(14)20(18(23)24)16(19)12-6-2-1-3-7-12/h1-9,13,16,21H,10-11H2,(H,23,24).
What are the key properties of 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid?
5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(hydroxymethyl)-2'-oxo-2-phenylspiro[2H-indole-3,3'-oxolane]-1-carboxylic acid is sourced from PubChem (CID 91549998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).