3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid

C10H19NO2 — CID 116926815

IUPAC3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
SMILESCC(CC(=O)O)CC1CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13)5-9-3-4-11(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLDROCIGBKBPBHB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid

3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid (PubChem CID 116926815) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
PubChem CID116926815
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
SMILESCC(CC(=O)O)CC1CCN(C)C1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13)5-9-3-4-11(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLDROCIGBKBPBHB-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid (CID 116926815) is 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid is CC(CC(=O)O)CC1CCN(C)C1.
What is the InChIKey of 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid?
The InChIKey is LDROCIGBKBPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(6-10(12)13)5-9-3-4-11(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid?
3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid is sourced from PubChem (CID 116926815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).