5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid

C14H19NO4 — CID 117416973

IUPAC5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(OC)c(C)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO4/c1-8-11(5-10(18-2)6-13(8)19-3)12-4-9(7-15-12)14(16)17/h5-6,9,12,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyNUALQWDFUPBCOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds4

About 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid

5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117416973) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117416973
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(OC)c(C)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO4/c1-8-11(5-10(18-2)6-13(8)19-3)12-4-9(7-15-12)14(16)17/h5-6,9,12,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyNUALQWDFUPBCOZ-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117392324
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
5-(5-fluoro-3,4-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117455307
5-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 117475863
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117426174
5-(4-fluoro-5-hydroxy-2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390670
5-[4-(dimethylamino)-2,5-dimethoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117474882
5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117438401
5-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117473426

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid (CID 117416973) is 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid is COc1cc(OC)c(C)c(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NUALQWDFUPBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-11(5-10(18-2)6-13(8)19-3)12-4-9(7-15-12)14(16)17/h5-6,9,12,15H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid?
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117416973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).