1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 61019409

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyLPCXCWAXBHQWAT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds2

About 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61019409) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61019409
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyLPCXCWAXBHQWAT-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61019409) is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C)(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is LPCXCWAXBHQWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)14(20)16-9-6-11(7-10-16)17-8-4-5-12(17)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61019409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).