1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

C15H21NO3 — CID 3998216

IUPAC1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC2C(=O)O)c(C)c1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)14(19-3)7-6-12(10)9-16-8-4-5-13(16)15(17)18/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyLTSFAPOEJAWLTJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3998216) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3998216
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CN2CCCC2C(=O)O)c(C)c1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)14(19-3)7-6-12(10)9-16-8-4-5-13(16)15(17)18/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyLTSFAPOEJAWLTJ-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909419
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
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
ethyl 1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2838021
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 3998216) is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid is COc1ccc(CN2CCCC2C(=O)O)c(C)c1C.
What is the InChIKey of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LTSFAPOEJAWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-11(2)14(19-3)7-6-12(10)9-16-8-4-5-13(16)15(17)18/h6-7,13H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).