methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate

C15H21NO3 — CID 53410400

IUPACmethyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2C(C)C)CN1
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-14(12)19-11-8-13(16-9-11)15(17)18-3/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyKWZJWGSZMGYCHL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate

methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate (PubChem CID 53410400) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
PubChem CID53410400
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccccc2C(C)C)CN1
InChIInChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-14(12)19-11-8-13(16-9-11)15(17)18-3/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyKWZJWGSZMGYCHL-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-4-(2-tert-butylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831459
methyl (2R,4R)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 98006342
methyl (2S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 45075597
methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 66523902
methyl 4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 53410543
methyl 4-(2,3-dichlorophenoxy)pyrrolidine-2-carboxylate
CID 53410341
methyl (2S,4S)-4-(3-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
CID 26192753
methyl (2S,4S)-4-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831375
methyl (2S,4S)-4-(2-butan-2-yl-4-chlorophenoxy)pyrrolidine-2-carboxylate
CID 56831409
methyl (2S,4R)-4-(2,4-difluorophenoxy)pyrrolidine-2-carboxylate
CID 24902875
methyl 4-[2-fluoro-3-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 46739869
methyl (2S)-4-(4-fluoro-2-methylphenoxy)pyrrolidine-2-carboxylate
CID 45075630

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate (CID 53410400) is methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccccc2C(C)C)CN1.
What is the InChIKey of methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate?
The InChIKey is KWZJWGSZMGYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-14(12)19-11-8-13(16-9-11)15(17)18-3/h4-7,10-11,13,16H,8-9H2,1-3H3.
What are the key properties of methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate?
methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-propan-2-ylphenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 53410400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).