4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid

C14H21NO4 — CID 82056189

IUPAC4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid
SMILESCCCCCOc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C14H21NO4/c1-2-3-4-11-19-12-7-5-9-15(14(12)18)10-6-8-13(16)17/h5,7,9H,2-4,6,8,10-11H2,1H3,(H,16,17)
InChIKeyLZCFBXRGDSNXPW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.28
Rot. Bonds9

About 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid

4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid (PubChem CID 82056189) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid
PubChem CID82056189
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid
SMILESCCCCCOc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C14H21NO4/c1-2-3-4-11-19-12-7-5-9-15(14(12)18)10-6-8-13(16)17/h5,7,9H,2-4,6,8,10-11H2,1H3,(H,16,17)
InChIKeyLZCFBXRGDSNXPW-UHFFFAOYSA-N
XLogP2.28
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Hydroxy-2-oxo-1-pyridinyl)butanoic acid
CID 10330335
5-(3-Methoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 70036931
4-(3-Methoxy-2-oxo-1-pyridinyl)butanoic acid
CID 70037041
3-(3-Butoxy-2-oxo-1-pyridinyl)propanoic acid
CID 82056158
2-Methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanoic acid
CID 75537472
2-[3-[2-[Butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056063
2-(2-Oxo-3-pentoxy-1-pyridinyl)acetic acid
CID 82056080
2-(3-Hexoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056081
2-(3-Butoxy-2-oxo-1-pyridinyl)propanoic acid
CID 82056120
2-(2-Oxo-3-pentoxy-1-pyridinyl)propanoic acid
CID 82056121
2-(3-Hexoxy-2-oxo-1-pyridinyl)propanoic acid
CID 82056122
3-[3-[2-(Diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]propanoic acid
CID 82056143

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid (CID 82056189) is 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid is CCCCCOc1cccn(CCCC(=O)O)c1=O.
What is the InChIKey of 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid?
The InChIKey is LZCFBXRGDSNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-3-4-11-19-12-7-5-9-15(14(12)18)10-6-8-13(16)17/h5,7,9H,2-4,6,8,10-11H2,1H3,(H,16,17).
What are the key properties of 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid?
4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3-pentoxy-1-pyridinyl)butanoic acid is sourced from PubChem (CID 82056189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).