ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate

C22H27NO4 — CID 145121615

IUPACethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC.COC(=O)C1CC(O)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO4.C2H6/c1-25-20(24)17-12-16(22)13-21(17)19(23)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16-18,22H,12-13H2,1H3;1-2H3
InChIKeyBNMOIRUPHKBOMH-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.98
Rot. Bonds4

About ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate

ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 145121615) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID145121615
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC.COC(=O)C1CC(O)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO4.C2H6/c1-25-20(24)17-12-16(22)13-21(17)19(23)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16-18,22H,12-13H2,1H3;1-2H3
InChIKeyBNMOIRUPHKBOMH-UHFFFAOYSA-N
XLogP2.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 115971364
methyl 4-benzoylsulfanyl-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylate
CID 123354705
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl (4S)-1-(2,2-diphenylacetyl)-4-[[(E)-3-phenylprop-2-enoyl]amino]pyrrolidine-2-carboxylate
CID 129035864
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
methyl (4S)-1-(2,2-diphenylacetyl)-4-[[(1R)-2-phenylcyclopropyl]methoxy]pyrrolidine-2-carboxylate
CID 129161561
methyl 1-(2,2-diphenylacetyl)-4-[methyl(4-phenylbutyl)amino]pyrrolidine-2-carboxylate
CID 123610016
lithium;(2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]pyrrolidine-2-carboxylic acid;methyl (2S,4S)-1-(2,2-diphenylacetyl)-4-[methyl(propyl)amino]pyrrolidine-2-carboxylate;hydroxide;hydrate
CID 160578062
methyl (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
CID 126679490
lithium;(2S,4S)-1-(2,2-diphenylacetyl)-4-(2-phenylethylamino)pyrrolidine-2-carboxylic acid;methane;methyl (2S,4S)-1-(2,2-diphenylacetyl)-4-(2-phenylethylamino)pyrrolidine-2-carboxylate;hydroxide;hydrate
CID 160947107

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate (CID 145121615) is ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate is CC.COC(=O)C1CC(O)CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BNMOIRUPHKBOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4.C2H6/c1-25-20(24)17-12-16(22)13-21(17)19(23)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15;1-2/h2-11,16-18,22H,12-13H2,1H3;1-2H3.
What are the key properties of ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate?
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 145121615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).