1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid

C11H21NO2 — CID 58778474

IUPAC1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)CN1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10-5-9(11(13)14)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyPBPSIEXZINXIHR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

About 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid

1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 58778474) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID58778474
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)CN1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10-5-9(11(13)14)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyPBPSIEXZINXIHR-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid (CID 58778474) is 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid is CC(C)C1CC(C(=O)O)CN1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is PBPSIEXZINXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)10-5-9(11(13)14)6-12(10)8(3)4/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid?
1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 58778474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).