4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid

C14H19NO4 — CID 70628772

IUPAC4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
SMILESCc1cc(CCCC(=O)O)cnc1CCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-8-11(4-2-6-13(16)17)9-15-12(10)5-3-7-14(18)19/h8-9H,2-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyLUUUOEYLADBZRQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.20
Rot. Bonds8

About 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid

4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid (PubChem CID 70628772) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
PubChem CID70628772
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
SMILESCc1cc(CCCC(=O)O)cnc1CCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-10-8-11(4-2-6-13(16)17)9-15-12(10)5-3-7-14(18)19/h8-9H,2-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyLUUUOEYLADBZRQ-UHFFFAOYSA-N
XLogP2.20
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
CID 83893919
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
4-(3-hydroxy-4,5-dimethylphenyl)butanoic acid
CID 117297452
4-(4-methylisoquinolin-7-yl)butanoic acid
CID 117330539
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid
CID 67825011
4-(3-bromo-4-hydroxy-5-methylphenyl)butanoic acid
CID 117435012
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
4-(6-iodo-3-pyridinyl)butanoic acid
CID 134406109
4-(3-bromo-4-fluoro-5-methylphenyl)butanoic acid
CID 117439547
4-(1,2-oxazol-4-yl)butanoic acid
CID 45099096
8-[2-(4-hydroxy-3-methylphenyl)pyrimidin-5-yl]octanoic acid
CID 176906330

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid?
The IUPAC name of 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid (CID 70628772) is 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid?
The canonical SMILES for 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid is Cc1cc(CCCC(=O)O)cnc1CCCC(=O)O.
What is the InChIKey of 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid?
The InChIKey is LUUUOEYLADBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-8-11(4-2-6-13(16)17)9-15-12(10)5-3-7-14(18)19/h8-9H,2-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid?
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid is sourced from PubChem (CID 70628772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).