2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid

C9H15NO2 — CID 19965479

IUPAC2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1=CCNCC1
InChIInChI=1S/C9H15NO2/c1-9(2,8(11)12)7-3-5-10-6-4-7/h3,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyPYZWPYSEDMSSHO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds2

About 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid

2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid (PubChem CID 19965479) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid
PubChem CID19965479
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid
SMILESCC(C)(C(=O)O)C1=CCNCC1
InChIInChI=1S/C9H15NO2/c1-9(2,8(11)12)7-3-5-10-6-4-7/h3,10H,4-6H2,1-2H3,(H,11,12)
InChIKeyPYZWPYSEDMSSHO-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid (CID 19965479) is 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid is CC(C)(C(=O)O)C1=CCNCC1.
What is the InChIKey of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid?
The InChIKey is PYZWPYSEDMSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,8(11)12)7-3-5-10-6-4-7/h3,10H,4-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid?
2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propanoic acid is sourced from PubChem (CID 19965479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).