4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid

C14H21NO3 — CID 104571782

IUPAC4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
SMILESCCCOc1cccnc1C(CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-8-18-12-6-5-7-15-13(12)11(14(16)17)9-10(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyKKYJWFQFFHVIDD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.08
Rot. Bonds7

About 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid

4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid (PubChem CID 104571782) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
PubChem CID104571782
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
SMILESCCCOc1cccnc1C(CC(C)C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-8-18-12-6-5-7-15-13(12)11(14(16)17)9-10(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyKKYJWFQFFHVIDD-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788
4-methyl-2-(2-nitro-3-propoxyphenyl)pentanoic acid
CID 104571830
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
2-butan-2-yl-3-(2-methoxyethoxy)pyridine
CID 176934117
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
sodium 2-(3-methoxy-2-pyridinyl)pentanoate
CID 86812313
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid (CID 104571782) is 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid is CCCOc1cccnc1C(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid?
The InChIKey is KKYJWFQFFHVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-8-18-12-6-5-7-15-13(12)11(14(16)17)9-10(2)3/h5-7,10-11H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid?
4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid is sourced from PubChem (CID 104571782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).