ethane;3-(1-methylpiperidin-4-yl)propanoic acid

C11H23NO2 — CID 144539326

IUPACethane;3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCC.CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-10-6-4-8(5-7-10)2-3-9(11)12;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyPPJMDTBGCPFLHS-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds3

About ethane;3-(1-methylpiperidin-4-yl)propanoic acid

ethane;3-(1-methylpiperidin-4-yl)propanoic acid (PubChem CID 144539326) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;3-(1-methylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(1-methylpiperidin-4-yl)propanoic acid
PubChem CID144539326
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;3-(1-methylpiperidin-4-yl)propanoic acid
SMILESCC.CN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-10-6-4-8(5-7-10)2-3-9(11)12;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyPPJMDTBGCPFLHS-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-methylpiperidin-4-yl)propanoic acid?
The IUPAC name of ethane;3-(1-methylpiperidin-4-yl)propanoic acid (CID 144539326) is ethane;3-(1-methylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for ethane;3-(1-methylpiperidin-4-yl)propanoic acid?
The canonical SMILES for ethane;3-(1-methylpiperidin-4-yl)propanoic acid is CC.CN1CCC(CCC(=O)O)CC1.
What is the InChIKey of ethane;3-(1-methylpiperidin-4-yl)propanoic acid?
The InChIKey is PPJMDTBGCPFLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-10-6-4-8(5-7-10)2-3-9(11)12;1-2/h8H,2-7H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-(1-methylpiperidin-4-yl)propanoic acid?
ethane;3-(1-methylpiperidin-4-yl)propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-methylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 144539326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).