ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate

C15H21NO2 — CID 145004626

IUPACethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)14-11-16(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyGDZPWQCQDBQIJJ-NBFOIZRFSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds4

About ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate

ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate (PubChem CID 145004626) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
PubChem CID145004626
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)14-11-16(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyGDZPWQCQDBQIJJ-NBFOIZRFSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
ethyl 1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylate
CID 57304770
ethyl 1-benzyl-4-(2-methylpropyl)pyrrolidine-3-carboxylate
CID 20662771
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CID 165176370
ethyl 1-benzyl-4-octylpyrrolidine-3-carboxylate
CID 118368119
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
CID 18723473
ethyl (3R,4S)-1-benzyl-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 172878554
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate (CID 145004626) is ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)C[C@@H]1C.
What is the InChIKey of ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The InChIKey is GDZPWQCQDBQIJJ-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15(17)14-11-16(9-12(14)2)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 145004626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).