methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

C13H14N2O3 — CID 56940704

IUPACmethyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyWBRZAMFFUKWSQR-ZWNOBZJWSA-N
MW246.27 g/mol
LogP0.41
Rot. Bonds1

About methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 56940704) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Namemethyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID56940704
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyWBRZAMFFUKWSQR-ZWNOBZJWSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

beta-3-Oxindolylalanine
CID 13393248
Methyl indoline-2-carboxylate
CID 2794655
4-Cyanobenzyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940707
(2S)-2-acetamido-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 145979858
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 145993645
Oxindolylalanine
CID 159768
methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 7020378
2-amino-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)propanoic acid hydrochloride
CID 13393247
L-oxindolylalanine
CID 176454339
Tetrahydro-2h-Pyran-4-Yl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940705
Benzyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940706
1-Cyanocyclohexyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940710

Frequently Asked Questions

What is the IUPAC name of methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (CID 56940704) is methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is COC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12.
What is the InChIKey of methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is WBRZAMFFUKWSQR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1.
What are the key properties of methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 56940704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).