1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

C20H23NO3 — CID 122036450

IUPAC1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2ccccc2C)cc1CN1CCCC1C(=O)O
InChIInChI=1S/C20H23NO3/c1-14-6-3-4-7-17(14)15-9-10-19(24-2)16(12-15)13-21-11-5-8-18(21)20(22)23/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,22,23)
InChIKeyBZIWRXDSCBHBQF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds5

About 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036450) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID122036450
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2ccccc2C)cc1CN1CCCC1C(=O)O
InChIInChI=1S/C20H23NO3/c1-14-6-3-4-7-17(14)15-9-10-19(24-2)16(12-15)13-21-11-5-8-18(21)20(22)23/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,22,23)
InChIKeyBZIWRXDSCBHBQF-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125095
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 167938640
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909419
1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 159497901
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2S)-1-[[2-methoxy-4-(2-methyl-3-phenylbenzoyl)oxyphenyl]methyl]piperidine-2-carboxylic acid
CID 177373868

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 122036450) is 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is COc1ccc(-c2ccccc2C)cc1CN1CCCC1C(=O)O.
What is the InChIKey of 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BZIWRXDSCBHBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-3-4-7-17(14)15-9-10-19(24-2)16(12-15)13-21-11-5-8-18(21)20(22)23/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,22,23).
What are the key properties of 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid?
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).