1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid

C18H21NO2 — CID 144687726

IUPAC1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCc1ccc2cc(CN3CCC(C(=O)O)C3)ccc2c1
InChIInChI=1S/C18H21NO2/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-19-8-7-17(12-19)18(20)21/h3-6,9-10,17H,2,7-8,11-12H2,1H3,(H,20,21)
InChIKeyIEULWGZBOWNCQQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds4

About 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid

1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 144687726) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID144687726
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCc1ccc2cc(CN3CCC(C(=O)O)C3)ccc2c1
InChIInChI=1S/C18H21NO2/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-19-8-7-17(12-19)18(20)21/h3-6,9-10,17H,2,7-8,11-12H2,1H3,(H,20,21)
InChIKeyIEULWGZBOWNCQQ-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(6,7-dimethoxynaphthalen-2-yl)methyl]piperidine-4-carboxylic acid
CID 166293062
(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596
1-[(4-butoxy-3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122036354
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
1-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 122036348
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid;methane;methyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]pyrrolidine-3-carboxylate
CID 159481087
1-[(4-cyanophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 55149332
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 144687726) is 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid is CCc1ccc2cc(CN3CCC(C(=O)O)C3)ccc2c1.
What is the InChIKey of 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IEULWGZBOWNCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-19-8-7-17(12-19)18(20)21/h3-6,9-10,17H,2,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 144687726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).