1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid

C14H18ClNO3 — CID 102785697

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCOc2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-10-6-7-16(13(10)14(17)18)8-9-19-12-5-3-2-4-11(12)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyFSFXZLYSJALLTP-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.51
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785697) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785697
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(CCOc2ccccc2Cl)C1C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-10-6-7-16(13(10)14(17)18)8-9-19-12-5-3-2-4-11(12)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)
InChIKeyFSFXZLYSJALLTP-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072550
1-[2-(2-chlorophenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372112
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784523
1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[2-(2,6-dichlorophenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372120
1-[2-(2-ethoxyphenoxy)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369952
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 107072281
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785590
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785697) is 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(CCOc2ccccc2Cl)C1C(=O)O.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FSFXZLYSJALLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-6-7-16(13(10)14(17)18)8-9-19-12-5-3-2-4-11(12)15/h2-5,10,13H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 283.75 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).