formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H29N3O4 — CID 171712728

IUPACformic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)N(C)CC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1.O=CO
InChIInChI=1S/C23H27N3O2.CH2O2/c1-16(2)25(3)15-20(27)26-14-13-23(21(26)17-9-5-4-6-10-17)18-11-7-8-12-19(18)24-22(23)28;2-1-3/h4-12,16,21H,13-15H2,1-3H3,(H,24,28);1H,(H,2,3)/t21-,23+;/m0./s1
InChIKeyKNPODLJQUIZFAA-ITOBZAKTSA-N
MW423.51 g/mol
LogP2.89
Rot. Bonds4

About formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 171712728) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Nameformic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID171712728
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nameformic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)N(C)CC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1.O=CO
InChIInChI=1S/C23H27N3O2.CH2O2/c1-16(2)25(3)15-20(27)26-14-13-23(21(26)17-9-5-4-6-10-17)18-11-7-8-12-19(18)24-22(23)28;2-1-3/h4-12,16,21H,13-15H2,1-3H3,(H,24,28);1H,(H,2,3)/t21-,23+;/m0./s1
InChIKeyKNPODLJQUIZFAA-ITOBZAKTSA-N
XLogP2.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621734
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166617276
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171330618
formic acid;(2'S,3R)-1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171709606
(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792
(2'S,3R)-2'-(3-methoxyphenyl)-1'-(3-methylsulfonylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612858
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624363

Frequently Asked Questions

What is the IUPAC name of formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 171712728) is formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)N(C)CC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1.O=CO.
What is the InChIKey of formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KNPODLJQUIZFAA-ITOBZAKTSA-N. The full InChI is InChI=1S/C23H27N3O2.CH2O2/c1-16(2)25(3)15-20(27)26-14-13-23(21(26)17-9-5-4-6-10-17)18-11-7-8-12-19(18)24-22(23)28;2-1-3/h4-12,16,21H,13-15H2,1-3H3,(H,24,28);1H,(H,2,3)/t21-,23+;/m0./s1.
What are the key properties of formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 423.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171712728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).