methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate

C19H25NO5 — CID 101469356

IUPACmethyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](OC(=O)C(C)(C)C)C[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C19H25NO5/c1-19(2,3)17(22)25-15-10-14(20(12-15)18(23)24-4)11-16(21)13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyFWHLRINSUCANQR-HUUCEWRRSA-N
MW347.41 g/mol
LogP3.06
Rot. Bonds4

About methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate

methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate (PubChem CID 101469356) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate
PubChem CID101469356
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namemethyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@H](OC(=O)C(C)(C)C)C[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C19H25NO5/c1-19(2,3)17(22)25-15-10-14(20(12-15)18(23)24-4)11-16(21)13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3/t14-,15-/m1/s1
InChIKeyFWHLRINSUCANQR-HUUCEWRRSA-N
XLogP3.06
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2S)-2-phenacyl-2,5-dihydropyrrole-1-carboxylate
CID 163183549
tert-butyl 2-[(4-methoxycarbonylphenoxy)methyl]-4-phenoxypyrrolidine-1-carboxylate
CID 67405693
1-O-tert-butyl 2-O-methyl (2S,4R)-4-benzoyloxypyrrolidine-1,2-dicarboxylate
CID 11772448
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 100997156
methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 46899861
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
(2S,4R)-4-benzoyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14213923
2-[(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 146155270
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
tert-butyl (2R,4S)-2-(3-hydroxypropyl)-4-phenoxypyrrolidine-1-carboxylate
CID 59838259
[(3R)-5-[(3S)-3-(2,2-dimethylhex-5-enoxycarbonylamino)-4,4-dimethyl-2-oxopentyl]-1-methoxycarbonylpyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate
CID 91456494
1-O-tert-butyl 2-O-methyl (2R,4S)-4-phenoxypyrrolidine-1,2-dicarboxylate
CID 10639494

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate (CID 101469356) is methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate is COC(=O)N1C[C@H](OC(=O)C(C)(C)C)C[C@@H]1CC(=O)c1ccccc1.
What is the InChIKey of methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate?
The InChIKey is FWHLRINSUCANQR-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H25NO5/c1-19(2,3)17(22)25-15-10-14(20(12-15)18(23)24-4)11-16(21)13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate?
methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-phenacylpyrrolidine-1-carboxylate is sourced from PubChem (CID 101469356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).