3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid

C15H27NO2 — CID 106984768

IUPAC3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CC(N2CCC(C(=O)O)(C(C)C)C2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-6-5-15(9-16,11(3)4)14(17)18/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyGNYHSGNYNXISGV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.85
Rot. Bonds4

About 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid

3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid (PubChem CID 106984768) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
PubChem CID106984768
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CC(N2CCC(C(=O)O)(C(C)C)C2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-6-5-15(9-16,11(3)4)14(17)18/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyGNYHSGNYNXISGV-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid (CID 106984768) is 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid is CC(C)C1CC(N2CCC(C(=O)O)(C(C)C)C2)C1.
What is the InChIKey of 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GNYHSGNYNXISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)12-7-13(8-12)16-6-5-15(9-16,11(3)4)14(17)18/h10-13H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).