1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid

C15H25NO2 — CID 83080184

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC1CC2CCC1C2
InChIInChI=1S/C15H25NO2/c1-2-15(14(17)18)6-3-7-16(15)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeySNUBWGSQHCIWEB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83080184) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83080184
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC1CC2CCC1C2
InChIInChI=1S/C15H25NO2/c1-2-15(14(17)18)6-3-7-16(15)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeySNUBWGSQHCIWEB-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83080184) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is SNUBWGSQHCIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-15(14(17)18)6-3-7-16(15)10-13-9-11-4-5-12(13)8-11/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).