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

C17H24ClNO3 — CID 5027526

IUPAC1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O
InChIInChI=1S/C17H24ClNO3/c1-3-4-6-14(19-10-5-7-15(19)17(20)21)13-11-12(18)8-9-16(13)22-2/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyJYOAWCGUPVXCAG-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.13
Rot. Bonds7

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

1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid (PubChem CID 5027526) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
PubChem CID5027526
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O
InChIInChI=1S/C17H24ClNO3/c1-3-4-6-14(19-10-5-7-15(19)17(20)21)13-11-12(18)8-9-16(13)22-2/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,20,21)
InChIKeyJYOAWCGUPVXCAG-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chloro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3961449
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3970545
1-[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4039276
1-[(5-chloro-2-methoxyphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3951924
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
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)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3659958
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4038011
1-[(2,4-dichlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3910221
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 4650051
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid (CID 5027526) is 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid is CCCCC(c1cc(Cl)ccc1OC)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JYOAWCGUPVXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-3-4-6-14(19-10-5-7-15(19)17(20)21)13-11-12(18)8-9-16(13)22-2/h8-9,11,14-15H,3-7,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid?
1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid has a molecular weight of 325.84 g/mol, XLogP of 4.13, 7 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)pentyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).