1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid

C15H20ClNO3 — CID 3961449

IUPAC1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-3-12(17-8-4-5-13(17)15(18)19)11-9-10(16)6-7-14(11)20-2/h6-7,9,12-13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyICBFJZNTVMRXJG-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.35
Rot. Bonds5

About 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid

1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 3961449) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID3961449
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-3-12(17-8-4-5-13(17)15(18)19)11-9-10(16)6-7-14(11)20-2/h6-7,9,12-13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyICBFJZNTVMRXJG-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 5027526
1-[1-(5-fluoro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4640859
1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
CID 4559409
1-[(5-chloro-2-methoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3951924
1-[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4039276
1-[1-(5-bromo-2-ethoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4308796
1-[(2,4-dichlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3910221
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4038011
1-[(5-chloro-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3659958
1-[(5-chloro-2-methoxyphenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-2-carboxylic acid
CID 4241257
1-[(5-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3362219
1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4022993

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid (CID 3961449) is 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid is CCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ICBFJZNTVMRXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-12(17-8-4-5-13(17)15(18)19)11-9-10(16)6-7-14(11)20-2/h6-7,9,12-13H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid?
1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.78 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).