3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid

C12H17NO2 — CID 89386959

IUPAC3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid
SMILESC=C1C=CN(CCC(=O)O)C(CC)=C1C
InChIInChI=1S/C12H17NO2/c1-4-11-10(3)9(2)5-7-13(11)8-6-12(14)15/h5,7H,2,4,6,8H2,1,3H3,(H,14,15)
InChIKeyUXAIPZIGZCKIGH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.53
Rot. Bonds4

About 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid

3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid (PubChem CID 89386959) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid
PubChem CID89386959
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid
SMILESC=C1C=CN(CCC(=O)O)C(CC)=C1C
InChIInChI=1S/C12H17NO2/c1-4-11-10(3)9(2)5-7-13(11)8-6-12(14)15/h5,7H,2,4,6,8H2,1,3H3,(H,14,15)
InChIKeyUXAIPZIGZCKIGH-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid (CID 89386959) is 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid is C=C1C=CN(CCC(=O)O)C(CC)=C1C.
What is the InChIKey of 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid?
The InChIKey is UXAIPZIGZCKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-11-10(3)9(2)5-7-13(11)8-6-12(14)15/h5,7H,2,4,6,8H2,1,3H3,(H,14,15).
What are the key properties of 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid?
3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-methyl-4-methylidene-1-pyridinyl)propanoic acid is sourced from PubChem (CID 89386959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).