ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate

C27H26N2O3 — CID 139186709

IUPACethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C27H26N2O3/c1-2-32-25(30)22-17-23(20-13-7-4-8-14-20)28-27(22)21-15-9-10-16-24(21)29(26(27)31)18-19-11-5-3-6-12-19/h3-16,22-23,28H,2,17-18H2,1H3/t22-,23+,27+/m0/s1
InChIKeyJOUFTFQBJOWWFL-QHWMMSMNSA-N
MW426.52 g/mol
LogP4.34
Rot. Bonds5

About ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate

ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate (PubChem CID 139186709) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate
PubChem CID139186709
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Nameethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C27H26N2O3/c1-2-32-25(30)22-17-23(20-13-7-4-8-14-20)28-27(22)21-15-9-10-16-24(21)29(26(27)31)18-19-11-5-3-6-12-19/h3-16,22-23,28H,2,17-18H2,1H3/t22-,23+,27+/m0/s1
InChIKeyJOUFTFQBJOWWFL-QHWMMSMNSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate?
The IUPAC name of ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate (CID 139186709) is ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate.
What is the SMILES notation for ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate?
The canonical SMILES for ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate is CCOC(=O)[C@@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate?
The InChIKey is JOUFTFQBJOWWFL-QHWMMSMNSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-2-32-25(30)22-17-23(20-13-7-4-8-14-20)28-27(22)21-15-9-10-16-24(21)29(26(27)31)18-19-11-5-3-6-12-19/h3-16,22-23,28H,2,17-18H2,1H3/t22-,23+,27+/m0/s1.
What are the key properties of ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate?
ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,3'R,5'R)-1-benzyl-2-oxo-5'-phenylspiro[indole-3,2'-pyrrolidine]-3'-carboxylate is sourced from PubChem (CID 139186709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).