5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid

C13H25NO2 — CID 79183884

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
SMILESCC1CN(CCCC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C13H25NO2/c1-10-8-14(9-11(10)2)7-5-6-13(3,4)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyHYBHFLNIRIYVTE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds5

About 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid

5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid (PubChem CID 79183884) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
PubChem CID79183884
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid
SMILESCC1CN(CCCC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C13H25NO2/c1-10-8-14(9-11(10)2)7-5-6-13(3,4)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyHYBHFLNIRIYVTE-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid (CID 79183884) is 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid is CC1CN(CCCC(C)(C)C(=O)O)CC1C.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid?
The InChIKey is HYBHFLNIRIYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-8-14(9-11(10)2)7-5-6-13(3,4)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid?
5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 79183884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).