3-(4-ethoxy-3-pyridinyl)propanoic acid

C10H13NO3 — CID 84666014

IUPAC3-(4-ethoxy-3-pyridinyl)propanoic acid
SMILESCCOc1ccncc1CCC(=O)O
InChIInChI=1S/C10H13NO3/c1-2-14-9-5-6-11-7-8(9)3-4-10(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyIVVFIDDNLSJZPU-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds5

About 3-(4-ethoxy-3-pyridinyl)propanoic acid

3-(4-ethoxy-3-pyridinyl)propanoic acid (PubChem CID 84666014) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4-ethoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-pyridinyl)propanoic acid
PubChem CID84666014
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(4-ethoxy-3-pyridinyl)propanoic acid
SMILESCCOc1ccncc1CCC(=O)O
InChIInChI=1S/C10H13NO3/c1-2-14-9-5-6-11-7-8(9)3-4-10(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyIVVFIDDNLSJZPU-UHFFFAOYSA-N
XLogP1.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
CID 84676163
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
3-ethoxy-4-propylpyridine
CID 176934400
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-ethoxy-3-pyridinyl)propanoic acid (CID 84666014) is 3-(4-ethoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-ethoxy-3-pyridinyl)propanoic acid is CCOc1ccncc1CCC(=O)O.
What is the InChIKey of 3-(4-ethoxy-3-pyridinyl)propanoic acid?
The InChIKey is IVVFIDDNLSJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-9-5-6-11-7-8(9)3-4-10(12)13/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(4-ethoxy-3-pyridinyl)propanoic acid?
3-(4-ethoxy-3-pyridinyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 84666014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).