1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid

C14H25NO3 — CID 115270474

IUPAC1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CCCC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)8-5-7-11(16)15-10-6-9-14(15,4)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyRLRDFHNOQVXNGY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds4

About 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid

1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 115270474) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID115270474
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)CCCC(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)8-5-7-11(16)15-10-6-9-14(15,4)12(17)18/h5-10H2,1-4H3,(H,17,18)
InChIKeyRLRDFHNOQVXNGY-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid (CID 115270474) is 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid is CC(C)(C)CCCC(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is RLRDFHNOQVXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)8-5-7-11(16)15-10-6-9-14(15,4)12(17)18/h5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115270474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).