(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid

C20H25NO4 — CID 67367096

IUPAC(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C20H25NO4/c1-3-15-5-8-17(21-14-15)11-12-25-18-9-6-16(7-10-18)13-19(20(22)23)24-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeySTYOXUJHHXIHSL-LJQANCHMSA-N
MW343.42 g/mol
LogP3.30
Rot. Bonds10

About (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid

(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid (PubChem CID 67367096) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
PubChem CID67367096
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
SMILESCCO[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C20H25NO4/c1-3-15-5-8-17(21-14-15)11-12-25-18-9-6-16(7-10-18)13-19(20(22)23)24-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeySTYOXUJHHXIHSL-LJQANCHMSA-N
XLogP3.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 58629732
2-amino-3-[4-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]propanoic acid
CID 142964377
butyl 3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-2-methylsulfonyloxypropanoate
CID 87611190
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
4-(dicyclohexylamino)-2-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-oxobutanoic acid
CID 139845579
[4-[3-[4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy]propyl]phenyl]azanium chloride
CID 69426610
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid?
The IUPAC name of (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid (CID 67367096) is (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid is CCO[C@H](Cc1ccc(OCCc2ccc(CC)cn2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid?
The InChIKey is STYOXUJHHXIHSL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-15-5-8-17(21-14-15)11-12-25-18-9-6-16(7-10-18)13-19(20(22)23)24-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid?
(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 67367096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).