3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 65063893

IUPAC3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccccc2O)C1
InChIInChI=1S/C14H19NO3/c1-2-14(13(17)18)7-8-15(10-14)9-11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyZTNUNMHHRHRTTI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds4

About 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 65063893) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID65063893
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2ccccc2O)C1
InChIInChI=1S/C14H19NO3/c1-2-14(13(17)18)7-8-15(10-14)9-11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyZTNUNMHHRHRTTI-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228
1-[(2,5-dimethylphenyl)methyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55165586
1-[(2-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137008
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
3-ethyl-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65069026
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126646
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148892
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-[(2-chloro-6-hydroxyphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114322212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 65063893) is 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(Cc2ccccc2O)C1.
What is the InChIKey of 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZTNUNMHHRHRTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-14(13(17)18)7-8-15(10-14)9-11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).