methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate

C14H15NO4 — CID 139190765

IUPACmethyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N[C@]1(CCCCO1)C2=O
InChIInChI=1S/C14H15NO4/c1-18-13(17)9-4-5-10-11(8-9)15-14(12(10)16)6-2-3-7-19-14/h4-5,8,15H,2-3,6-7H2,1H3/t14-/m0/s1
InChIKeyBPEYTGXMNARTKW-AWEZNQCLSA-N
MW261.28 g/mol
LogP1.98
Rot. Bonds1

About methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate

methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate (PubChem CID 139190765) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate
PubChem CID139190765
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N[C@]1(CCCCO1)C2=O
InChIInChI=1S/C14H15NO4/c1-18-13(17)9-4-5-10-11(8-9)15-14(12(10)16)6-2-3-7-19-14/h4-5,8,15H,2-3,6-7H2,1H3/t14-/m0/s1
InChIKeyBPEYTGXMNARTKW-AWEZNQCLSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate?
The IUPAC name of methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate (CID 139190765) is methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate.
What is the SMILES notation for methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate?
The canonical SMILES for methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate is COC(=O)c1ccc2c(c1)N[C@]1(CCCCO1)C2=O.
What is the InChIKey of methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate?
The InChIKey is BPEYTGXMNARTKW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-13(17)9-4-5-10-11(8-9)15-14(12(10)16)6-2-3-7-19-14/h4-5,8,15H,2-3,6-7H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate?
methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-oxospiro[1H-indole-2,2'-oxane]-6-carboxylate is sourced from PubChem (CID 139190765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).