methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate

C19H21NO2 — CID 90989848

IUPACmethyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c1-22-18(21)19(20-14-8-9-15-20,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3
InChIKeyPERCNITUBSPMNH-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.20
Rot. Bonds4

About methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate

methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate (PubChem CID 90989848) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
PubChem CID90989848
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c1-22-18(21)19(20-14-8-9-15-20,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3
InChIKeyPERCNITUBSPMNH-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 97034679
2-methoxy-2-phenyl-2-piperidin-1-ylacetamide
CID 69092730
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-(1,4-diazepan-1-yl)-3-methyl-2-phenylbutanoate
CID 60994107
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
2-phenyl-2-pyrrolidin-1-ylbutanoic acid
CID 43803457
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylpropanoate
CID 97034680
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate?
The IUPAC name of methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate (CID 90989848) is methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate is COC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1.
What is the InChIKey of methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate?
The InChIKey is PERCNITUBSPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18(21)19(20-14-8-9-15-20,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3.
What are the key properties of methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate?
methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate has a molecular weight of 295.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 90989848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).