2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid

C15H21NO4 — CID 82152071

IUPAC2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
SMILESC=C(C)COc1cccn(C(CC)(CC)C(=O)O)c1=O
InChIInChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-9-7-8-12(13(16)17)20-10-11(3)4/h7-9H,3,5-6,10H2,1-2,4H3,(H,18,19)
InChIKeyMQBDDZSXAOYGPN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds7

About 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid

2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 82152071) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
PubChem CID82152071
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
SMILESC=C(C)COc1cccn(C(CC)(CC)C(=O)O)c1=O
InChIInChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-9-7-8-12(13(16)17)20-10-11(3)4/h7-9H,3,5-6,10H2,1-2,4H3,(H,18,19)
InChIKeyMQBDDZSXAOYGPN-UHFFFAOYSA-N
XLogP2.40
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
CID 82152064
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
CID 82143396
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylprop-2-enoxy)pyridin-2-one
CID 82143957
1-[2-(2-methylprop-2-enoxy)phenyl]pyrrole-2,5-dione
CID 14204227
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid (CID 82152071) is 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid is C=C(C)COc1cccn(C(CC)(CC)C(=O)O)c1=O.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is MQBDDZSXAOYGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-9-7-8-12(13(16)17)20-10-11(3)4/h7-9H,3,5-6,10H2,1-2,4H3,(H,18,19).
What are the key properties of 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid?
2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82152071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).