methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate

C13H17NO3 — CID 53410485

IUPACmethyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccc(C)cc2)CN1
InChIInChI=1S/C13H17NO3/c1-9-3-5-10(6-4-9)17-11-7-12(14-8-11)13(15)16-2/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyDZNQTWPXJYDDCU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.28
Rot. Bonds3

About methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate

methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate (PubChem CID 53410485) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate
PubChem CID53410485
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ccc(C)cc2)CN1
InChIInChI=1S/C13H17NO3/c1-9-3-5-10(6-4-9)17-11-7-12(14-8-11)13(15)16-2/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyDZNQTWPXJYDDCU-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-methylphenoxy)pyrrolidine-2-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,4R)-4-(4-bromophenoxy)pyrrolidine-2-carboxylate
CID 98006403
methyl 4-(4-acetylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 53410433
methyl (2S,4R)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 126969437
methyl 4-(2-chloro-5-methylphenoxy)pyrrolidine-2-carboxylate
CID 53410391
methyl 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 53410561
methyl (2S,4S)-4-(2-chloro-4-methylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 56831381
methyl (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylate
CID 26192738
methyl (2S,4S)-4-pyridin-3-yloxypyrrolidine-2-carboxylate;dihydrochloride
CID 46735771
methyl (2S,4S)-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidine-2-carboxylate
CID 24902855
methyl (2R,4R)-4-(3-tert-butylphenoxy)pyrrolidine-2-carboxylate
CID 98006385
methyl 4-(3-tert-butylphenoxy)pyrrolidine-2-carboxylate
CID 53410558
methyl (2S,4S)-4-(3-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
CID 26192753

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate (CID 53410485) is methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ccc(C)cc2)CN1.
What is the InChIKey of methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate?
The InChIKey is DZNQTWPXJYDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-3-5-10(6-4-9)17-11-7-12(14-8-11)13(15)16-2/h3-6,11-12,14H,7-8H2,1-2H3.
What are the key properties of methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate?
methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylphenoxy)pyrrolidine-2-carboxylate is sourced from PubChem (CID 53410485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).