2-(4-ethoxy-2-pyridinyl)propanoic acid

C10H13NO3 — CID 83879247

IUPAC2-(4-ethoxy-2-pyridinyl)propanoic acid
SMILESCCOc1ccnc(C(C)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-14-8-4-5-11-9(6-8)7(2)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyBHJXLNGXTYOLIQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-ethoxy-2-pyridinyl)propanoic acid

2-(4-ethoxy-2-pyridinyl)propanoic acid (PubChem CID 83879247) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-ethoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-pyridinyl)propanoic acid
PubChem CID83879247
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(4-ethoxy-2-pyridinyl)propanoic acid
SMILESCCOc1ccnc(C(C)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-3-14-8-4-5-11-9(6-8)7(2)10(12)13/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyBHJXLNGXTYOLIQ-UHFFFAOYSA-N
XLogP1.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
CID 175113550
1,5-bis(4-ethoxy-2-pyridinyl)pentane-1,3,5-tricarbaldehyde
CID 174481147
2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
CID 175524021
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid
CID 96858377
4-ethoxy-2-ethylpyridine
CID 59520086
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
ethyl 3-[2-[[2-(dihydroxymethyl)-4-pyridinyl]oxy]ethylamino]butanoate
CID 66715759
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
(1S,2S)-2-amino-3-(3,5-difluorophenyl)-1-(4-ethoxy-2-pyridinyl)propan-1-ol;(1S,2S)-3-(3,5-difluorophenyl)-1-(4-ethoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 161269320
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(4-ethoxy-2-pyridinyl)propanoic acid (CID 83879247) is 2-(4-ethoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(4-ethoxy-2-pyridinyl)propanoic acid is CCOc1ccnc(C(C)C(=O)O)c1.
What is the InChIKey of 2-(4-ethoxy-2-pyridinyl)propanoic acid?
The InChIKey is BHJXLNGXTYOLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-14-8-4-5-11-9(6-8)7(2)10(12)13/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethoxy-2-pyridinyl)propanoic acid?
2-(4-ethoxy-2-pyridinyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 83879247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).