1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid

C15H19NO3 — CID 15324304

IUPAC1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H19NO3/c1-9-7-10(2)13(11(3)8-9)14(17)16-6-4-5-12(16)15(18)19/h7-8,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyVLHKQFKIWPQNKC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.30
Rot. Bonds2

About 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid

1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 15324304) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID15324304
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H19NO3/c1-9-7-10(2)13(11(3)8-9)14(17)16-6-4-5-12(16)15(18)19/h7-8,12H,4-6H2,1-3H3,(H,18,19)
InChIKeyVLHKQFKIWPQNKC-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
(2S)-1-(2,6-difluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 82815286
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
1-(3-iodo-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119357048
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
1-(3-amino-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 61159154
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(2S)-1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114036548

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid (CID 15324304) is 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCCC2C(=O)O)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VLHKQFKIWPQNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-7-10(2)13(11(3)8-9)14(17)16-6-4-5-12(16)15(18)19/h7-8,12H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid?
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15324304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).