3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid

C11H22N2O3 — CID 81474873

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CN(CC(C)(O)C(=O)O)CC1N(C)C
InChIInChI=1S/C11H22N2O3/c1-8-5-13(6-9(8)12(3)4)7-11(2,16)10(14)15/h8-9,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyJJDZTOVADGZVGA-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.30
Rot. Bonds4

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid (PubChem CID 81474873) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
PubChem CID81474873
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CN(CC(C)(O)C(=O)O)CC1N(C)C
InChIInChI=1S/C11H22N2O3/c1-8-5-13(6-9(8)12(3)4)7-11(2,16)10(14)15/h8-9,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyJJDZTOVADGZVGA-UHFFFAOYSA-N
XLogP-0.30
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid (CID 81474873) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid is CC1CN(CC(C)(O)C(=O)O)CC1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JJDZTOVADGZVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-5-13(6-9(8)12(3)4)7-11(2,16)10(14)15/h8-9,16H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 81474873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).