5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid

C16H21NO3 — CID 117440422

IUPAC5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(OC2CCC2)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C16H21NO3/c1-10-5-6-15(20-12-3-2-4-12)13(7-10)14-8-11(9-17-14)16(18)19/h5-7,11-12,14,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyYMQMEBXQMHGXHR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.66
Rot. Bonds4

About 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid

5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117440422) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117440422
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(OC2CCC2)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C16H21NO3/c1-10-5-6-15(20-12-3-2-4-12)13(7-10)14-8-11(9-17-14)16(18)19/h5-7,11-12,14,17H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyYMQMEBXQMHGXHR-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid 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

5-(5-chloro-2-cyclobutyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117476462
5-[2-(difluoromethyl)-5-methylphenyl]pyrrolidine-3-carboxylic acid
CID 117390730
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117442644
5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117438401
5-[2-(1,1-dioxothietan-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117496211
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117467617
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(2-hydroxy-4,5-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117342440
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid (CID 117440422) is 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid is Cc1ccc(OC2CCC2)c(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YMQMEBXQMHGXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-5-6-15(20-12-3-2-4-12)13(7-10)14-8-11(9-17-14)16(18)19/h5-7,11-12,14,17H,2-4,8-9H2,1H3,(H,18,19).
What are the key properties of 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid?
5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117440422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).