ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate

C15H21NO3 — CID 141321691

IUPACethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OCc2ccccc2)C1C
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)16-10-9-14(12(16)2)19-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyNUVXQUYKNSHRDV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds4

About ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate

ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate (PubChem CID 141321691) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
PubChem CID141321691
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OCc2ccccc2)C1C
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)16-10-9-14(12(16)2)19-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyNUVXQUYKNSHRDV-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
benzyl (2S,3R,4R)-2-(chloromethyl)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 102526085
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
CID 175801457
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
4-O-benzyl 1-O-ethyl (3S,4R)-2-amino-3-ethoxypiperidine-1,4-dicarboxylate
CID 66677249
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 22840073

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate (CID 141321691) is ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate is CCOC(=O)N1CCC(OCc2ccccc2)C1C.
What is the InChIKey of ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate?
The InChIKey is NUVXQUYKNSHRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)16-10-9-14(12(16)2)19-11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate?
ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 141321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).