2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid

C10H17NO2 — CID 117205922

IUPAC2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
SMILESCC(CC1=CCCN(C)C1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)6-9-4-3-5-11(2)7-9/h4,8H,3,5-7H2,1-2H3,(H,12,13)
InChIKeyLKXPRSFMGILCLZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid

2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid (PubChem CID 117205922) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
PubChem CID117205922
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
SMILESCC(CC1=CCCN(C)C1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)6-9-4-3-5-11(2)7-9/h4,8H,3,5-7H2,1-2H3,(H,12,13)
InChIKeyLKXPRSFMGILCLZ-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
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-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid (CID 117205922) is 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid is CC(CC1=CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid?
The InChIKey is LKXPRSFMGILCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13)6-9-4-3-5-11(2)7-9/h4,8H,3,5-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid?
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid is sourced from PubChem (CID 117205922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).