1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid

C17H25NO3 — CID 63148363

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCOc2ccccc2C)C1
InChIInChI=1S/C17H25NO3/c1-3-8-17(16(19)20)9-10-18(13-17)11-12-21-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,19,20)
InChIKeyCVJWCFVWSJXPRQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.95
Rot. Bonds7

About 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63148363) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63148363
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCOc2ccccc2C)C1
InChIInChI=1S/C17H25NO3/c1-3-8-17(16(19)20)9-10-18(13-17)11-12-21-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,19,20)
InChIKeyCVJWCFVWSJXPRQ-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152563
1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
1-(3-phenylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068754
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
7-[2-(2-methylphenoxy)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 75386741
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
1-(3-phenylprop-2-ynyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148622
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63148363) is 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCOc2ccccc2C)C1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is CVJWCFVWSJXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-8-17(16(19)20)9-10-18(13-17)11-12-21-15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).