1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid

C15H21NO3 — CID 65063506

IUPAC1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C)C(C(=O)O)C2)cc(C)c1O
InChIInChI=1S/C15H21NO3/c1-9-4-12(5-10(2)14(9)17)7-16-6-11(3)13(8-16)15(18)19/h4-5,11,13,17H,6-8H2,1-3H3,(H,18,19)
InChIKeyUOLIPWOVURGVRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.16
Rot. Bonds3

About 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid

1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 65063506) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID65063506
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1cc(CN2CC(C)C(C(=O)O)C2)cc(C)c1O
InChIInChI=1S/C15H21NO3/c1-9-4-12(5-10(2)14(9)17)7-16-6-11(3)13(8-16)15(18)19/h4-5,11,13,17H,6-8H2,1-3H3,(H,18,19)
InChIKeyUOLIPWOVURGVRP-UHFFFAOYSA-N
XLogP2.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
(3S,4S)-1-[(4-carbamoylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086271
1-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 81155927
2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetic acid
CID 65055872
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65063414
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
CID 65417223
1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65065652
4-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65063198
1-[(4,5-dibromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 102845048
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid (CID 65063506) is 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid is Cc1cc(CN2CC(C)C(C(=O)O)C2)cc(C)c1O.
What is the InChIKey of 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UOLIPWOVURGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-4-12(5-10(2)14(9)17)7-16-6-11(3)13(8-16)15(18)19/h4-5,11,13,17H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).