2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid

C14H21NO4 — CID 82056085

IUPAC2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
SMILESCCCCCCCOc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C14H21NO4/c1-2-3-4-5-6-10-19-12-8-7-9-15(14(12)18)11-13(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyFENVQLZUTJZPCM-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.28
Rot. Bonds9

About 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid

2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid (PubChem CID 82056085) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
PubChem CID82056085
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
SMILESCCCCCCCOc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C14H21NO4/c1-2-3-4-5-6-10-19-12-8-7-9-15(14(12)18)11-13(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17)
InChIKeyFENVQLZUTJZPCM-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

3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
2-(3-hexoxy-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151667
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424

Frequently Asked Questions

What is the IUPAC name of 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid (CID 82056085) is 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid is CCCCCCCOc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is FENVQLZUTJZPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-3-4-5-6-10-19-12-8-7-9-15(14(12)18)11-13(16)17/h7-9H,2-6,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid?
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic 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 2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 82056085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).