2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid

C20H25NO4 — CID 19086927

IUPAC2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid
SMILESCCc1ccc(CCCOc2cccc(C(C)(OC)C(=O)O)c2)nc1
InChIInChI=1S/C20H25NO4/c1-4-15-10-11-17(21-14-15)8-6-12-25-18-9-5-7-16(13-18)20(2,24-3)19(22)23/h5,7,9-11,13-14H,4,6,8,12H2,1-3H3,(H,22,23)
InChIKeyMTWYQHLQWMBCDM-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.60
Rot. Bonds9

About 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid

2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid (PubChem CID 19086927) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid
PubChem CID19086927
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid
SMILESCCc1ccc(CCCOc2cccc(C(C)(OC)C(=O)O)c2)nc1
InChIInChI=1S/C20H25NO4/c1-4-15-10-11-17(21-14-15)8-6-12-25-18-9-5-7-16(13-18)20(2,24-3)19(22)23/h5,7,9-11,13-14H,4,6,8,12H2,1-3H3,(H,22,23)
InChIKeyMTWYQHLQWMBCDM-UHFFFAOYSA-N
XLogP3.60
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.60
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

(2S)-2-[[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-2-pyrrol-1-ylbutanoic acid
CID 10294775
2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 142964377
2-[2-ethoxy-3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 67697450
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
CID 125488024
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
(2S)-2-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-3-fluoro-2-pyrrol-1-ylpropanoic acid
CID 10272074
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746778
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid?
The IUPAC name of 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid (CID 19086927) is 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid.
What is the SMILES notation for 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid?
The canonical SMILES for 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid is CCc1ccc(CCCOc2cccc(C(C)(OC)C(=O)O)c2)nc1.
What is the InChIKey of 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid?
The InChIKey is MTWYQHLQWMBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-15-10-11-17(21-14-15)8-6-12-25-18-9-5-7-16(13-18)20(2,24-3)19(22)23/h5,7,9-11,13-14H,4,6,8,12H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid?
2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid is sourced from PubChem (CID 19086927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).