5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid

C12H14ClNO3 — CID 117392324

IUPAC5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C12H14ClNO3/c1-17-8-2-3-10(13)9(5-8)11-4-7(6-14-11)12(15)16/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16)
InChIKeyXGZZXFRFAQNETM-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.08
Rot. Bonds3

About 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid

5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117392324) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117392324
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(Cl)c(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C12H14ClNO3/c1-17-8-2-3-10(13)9(5-8)11-4-7(6-14-11)12(15)16/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16)
InChIKeyXGZZXFRFAQNETM-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine-3-carboxylic acid
CID 117455989
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530
5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117447014
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117498911
5-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117456036
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
5-(3-chloro-2,5-difluoro-6-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117471128
5-(3-chloro-6-hydroxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117392326

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 117392324) is 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(Cl)c(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XGZZXFRFAQNETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-17-8-2-3-10(13)9(5-8)11-4-7(6-14-11)12(15)16/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid?
5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117392324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).