5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid

C12H13Cl2NO3 — CID 175831393

IUPAC5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Cl)c1C1CCC(C(=O)O)N1
InChIInChI=1S/C12H13Cl2NO3/c1-18-9-5-2-6(13)11(14)10(9)7-3-4-8(15-7)12(16)17/h2,5,7-8,15H,3-4H2,1H3,(H,16,17)
InChIKeyLFDDXAICRADEAI-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.88
Rot. Bonds3

About 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid

5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 175831393) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID175831393
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Cl)c1C1CCC(C(=O)O)N1
InChIInChI=1S/C12H13Cl2NO3/c1-18-9-5-2-6(13)11(14)10(9)7-3-4-8(15-7)12(16)17/h2,5,7-8,15H,3-4H2,1H3,(H,16,17)
InChIKeyLFDDXAICRADEAI-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
CID 112574328
2-[5-(2,3-dichloro-6-methoxyphenyl)pyrrolidin-2-yl]acetonitrile
CID 177305798
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
CID 175761463
(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 130955627
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693390
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 178128854
5-(2-fluoro-4,6-dimethylphenyl)pyrrolidine-2-carboxylic acid
CID 106882408
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid (CID 175831393) is 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid is COc1ccc(Cl)c(Cl)c1C1CCC(C(=O)O)N1.
What is the InChIKey of 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LFDDXAICRADEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-18-9-5-2-6(13)11(14)10(9)7-3-4-8(15-7)12(16)17/h2,5,7-8,15H,3-4H2,1H3,(H,16,17).
What are the key properties of 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid?
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 290.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175831393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).