2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid

C12H23NO2 — CID 82238573

IUPAC2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)7-12(4,11(14)15)13-6-5-10(3)8-13/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyFVKJCRPDUHXBNH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid

2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid (PubChem CID 82238573) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid
PubChem CID82238573
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)7-12(4,11(14)15)13-6-5-10(3)8-13/h9-10H,5-8H2,1-4H3,(H,14,15)
InChIKeyFVKJCRPDUHXBNH-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid (CID 82238573) is 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid is CC(C)CC(C)(C(=O)O)N1CCC(C)C1.
What is the InChIKey of 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is FVKJCRPDUHXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-12(4,11(14)15)13-6-5-10(3)8-13/h9-10H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid?
2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(3-methylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 82238573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).