(3R)-3-(1-methylpiperidin-4-yl)butanoic acid

C10H19NO2 — CID 59161811

IUPAC(3R)-3-(1-methylpiperidin-4-yl)butanoic acid
SMILESC[C@H](CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-8(7-10(12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyDMJRCJQRFRNIOA-MRVPVSSYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About (3R)-3-(1-methylpiperidin-4-yl)butanoic acid

(3R)-3-(1-methylpiperidin-4-yl)butanoic acid (PubChem CID 59161811) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-(1-methylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(1-methylpiperidin-4-yl)butanoic acid
PubChem CID59161811
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-(1-methylpiperidin-4-yl)butanoic acid
SMILESC[C@H](CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-8(7-10(12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyDMJRCJQRFRNIOA-MRVPVSSYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 (3R)-3-(1-methylpiperidin-4-yl)butanoic acid?
The IUPAC name of (3R)-3-(1-methylpiperidin-4-yl)butanoic acid (CID 59161811) is (3R)-3-(1-methylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for (3R)-3-(1-methylpiperidin-4-yl)butanoic acid?
The canonical SMILES for (3R)-3-(1-methylpiperidin-4-yl)butanoic acid is C[C@H](CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of (3R)-3-(1-methylpiperidin-4-yl)butanoic acid?
The InChIKey is DMJRCJQRFRNIOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(7-10(12)13)9-3-5-11(2)6-4-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-(1-methylpiperidin-4-yl)butanoic acid?
(3R)-3-(1-methylpiperidin-4-yl)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 59161811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).