methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate

C16H23NO4 — CID 98006511

IUPACmethyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate
SMILESCCCc1ccc(O[C@H]2CN[C@@H](C(=O)OC)C2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-4-5-11-6-7-14(15(8-11)19-2)21-12-9-13(17-10-12)16(18)20-3/h6-8,12-13,17H,4-5,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyMVRRUBICVCEZIX-CHWSQXEVSA-N
MW293.36 g/mol
LogP1.93
Rot. Bonds6

About methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate

methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate (PubChem CID 98006511) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate
PubChem CID98006511
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate
SMILESCCCc1ccc(O[C@H]2CN[C@@H](C(=O)OC)C2)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-4-5-11-6-7-14(15(8-11)19-2)21-12-9-13(17-10-12)16(18)20-3/h6-8,12-13,17H,4-5,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyMVRRUBICVCEZIX-CHWSQXEVSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate
CID 53410403
methyl (2S,4S)-4-(4-benzyl-2-bromophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831315
methyl (2S,4R)-4-(2,4-difluorophenoxy)pyrrolidine-2-carboxylate
CID 24902875
methyl (2S,4S)-4-(2-chloro-4-methylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831381
methyl (2S,4R)-4-(4-bromo-2-fluorophenoxy)pyrrolidine-2-carboxylate
CID 24902883
4-(2-methoxy-4-propylphenoxy)piperidine;hydrochloride
CID 56831182
methyl (2S,4S)-4-(2-butan-2-yl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831409
methyl (2S,4R)-4-[2-bromo-4-(2-methylbutan-2-yl)phenoxy]pyrrolidine-2-carboxylate
CID 98006933
methyl (2R,4R)-4-(2,5-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 98006332
methyl 4-(4-bromo-2-chlorophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 53410441
methyl (2S,4S)-4-(2-tert-butyl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831403
(2S,4S)-4-(2-chloro-4-octylphenoxy)pyrrolidine-2-carboxylic acid
CID 25005854

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate (CID 98006511) is methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate is CCCc1ccc(O[C@H]2CN[C@@H](C(=O)OC)C2)c(OC)c1.
What is the InChIKey of methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate?
The InChIKey is MVRRUBICVCEZIX-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-11-6-7-14(15(8-11)19-2)21-12-9-13(17-10-12)16(18)20-3/h6-8,12-13,17H,4-5,9-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate?
methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 98006511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).