1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid

C20H22ClNO3 — CID 122046255

IUPAC1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H22ClNO3/c1-20(19(23)24)9-10-22(14-20)12-15-5-4-7-17(11-15)25-13-16-6-2-3-8-18(16)21/h2-8,11H,9-10,12-14H2,1H3,(H,23,24)
InChIKeyMMLAKZPDHBQOAM-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.22
Rot. Bonds6

About 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122046255) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122046255
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H22ClNO3/c1-20(19(23)24)9-10-22(14-20)12-15-5-4-7-17(11-15)25-13-16-6-2-3-8-18(16)21/h2-8,11H,9-10,12-14H2,1H3,(H,23,24)
InChIKeyMMLAKZPDHBQOAM-UHFFFAOYSA-N
XLogP4.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-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

3-methyl-1-[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119257603
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
1-[(2-chloro-6-hydroxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 113277181
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198
1-[[4-(2-chlorophenoxy)-3-nitrophenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046250
(3R)-3-methyl-1-[(3-phenoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 118383903
1-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064263
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122046255) is 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(Cc2cccc(OCc3ccccc3Cl)c2)C1.
What is the InChIKey of 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MMLAKZPDHBQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-20(19(23)24)9-10-22(14-20)12-15-5-4-7-17(11-15)25-13-16-6-2-3-8-18(16)21/h2-8,11H,9-10,12-14H2,1H3,(H,23,24).
What are the key properties of 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 359.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122046255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).