1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

C15H21NO3 — CID 3265139

IUPAC1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cc(CN2CCCC2C(=O)O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-7-12(8-11(2)14(10)19-3)9-16-6-4-5-13(16)15(17)18/h7-8,13H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyKXOONZCFOVTRMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3265139) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3265139
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cc(CN2CCCC2C(=O)O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-7-12(8-11(2)14(10)19-3)9-16-6-4-5-13(16)15(17)18/h7-8,13H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyKXOONZCFOVTRMW-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-[(3-chloro-5-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036514
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
(2S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]azetidine-2-carboxylic acid
CID 99937830
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040420
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 3265139) is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid is COc1c(C)cc(CN2CCCC2C(=O)O)cc1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KXOONZCFOVTRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-7-12(8-11(2)14(10)19-3)9-16-6-4-5-13(16)15(17)18/h7-8,13H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4-methoxy-3,5-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-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3265139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).