2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid

C15H20ClNO2 — CID 65068211

IUPAC2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
SMILESCCC(c1ccc(Cl)cc1)N1CCCC1CC(=O)O
InChIInChI=1S/C15H20ClNO2/c1-2-14(11-5-7-12(16)8-6-11)17-9-3-4-13(17)10-15(18)19/h5-8,13-14H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyBDGPZPPUXWBSQK-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.73
Rot. Bonds5

About 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid

2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65068211) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
PubChem CID65068211
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
SMILESCCC(c1ccc(Cl)cc1)N1CCCC1CC(=O)O
InChIInChI=1S/C15H20ClNO2/c1-2-14(11-5-7-12(16)8-6-11)17-9-3-4-13(17)10-15(18)19/h5-8,13-14H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyBDGPZPPUXWBSQK-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068370
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067851
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067867
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid (CID 65068211) is 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid is CCC(c1ccc(Cl)cc1)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BDGPZPPUXWBSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-14(11-5-7-12(16)8-6-11)17-9-3-4-13(17)10-15(18)19/h5-8,13-14H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 281.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65068211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).