3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid

C16H25NO3 — CID 82524208

IUPAC3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCCCCCn1c(C(C)C)ccc(CCC(=O)O)c1=O
InChIInChI=1S/C16H25NO3/c1-4-5-6-11-17-14(12(2)3)9-7-13(16(17)20)8-10-15(18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,18,19)
InChIKeyGVLZPWSCWOAKFL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.18
Rot. Bonds8

About 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid

3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid (PubChem CID 82524208) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
PubChem CID82524208
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCCCCCn1c(C(C)C)ccc(CCC(=O)O)c1=O
InChIInChI=1S/C16H25NO3/c1-4-5-6-11-17-14(12(2)3)9-7-13(16(17)20)8-10-15(18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,18,19)
InChIKeyGVLZPWSCWOAKFL-UHFFFAOYSA-N
XLogP3.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689
3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)propanoic acid
CID 82525308
2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82524202
1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
CID 82524548
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
CID 82523698
3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82527096
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
3-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)propanoic acid
CID 58821985
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid (CID 82524208) is 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid is CCCCCn1c(C(C)C)ccc(CCC(=O)O)c1=O.
What is the InChIKey of 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is GVLZPWSCWOAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-6-11-17-14(12(2)3)9-7-13(16(17)20)8-10-15(18)19/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid?
3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82524208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).