3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid

C9H17NO3 — CID 103356700

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(C)(O)C1
InChIInChI=1S/C9H17NO3/c1-7(5-8(11)12)10-4-3-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeySLOADOUXEYGGLR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds3

About 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid

3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid (PubChem CID 103356700) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
PubChem CID103356700
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(C)(O)C1
InChIInChI=1S/C9H17NO3/c1-7(5-8(11)12)10-4-3-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeySLOADOUXEYGGLR-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid (CID 103356700) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid?
The InChIKey is SLOADOUXEYGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(5-8(11)12)10-4-3-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 103356700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).