2-(3-methylpiperidin-1-yl)propanoic acid

C9H17NO2 — CID 20985174

IUPAC2-(3-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCCN(C(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOCZRLJCNPUUQIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)propanoic acid

2-(3-methylpiperidin-1-yl)propanoic acid (PubChem CID 20985174) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)propanoic acid
PubChem CID20985174
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3-methylpiperidin-1-yl)propanoic acid
SMILESCC1CCCN(C(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyOCZRLJCNPUUQIX-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-methylpiperidin-1-yl)propanoic acid (CID 20985174) is 2-(3-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)propanoic acid is CC1CCCN(C(C)C(=O)O)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)propanoic acid?
The InChIKey is OCZRLJCNPUUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methylpiperidin-1-yl)propanoic acid?
2-(3-methylpiperidin-1-yl)propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 20985174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).