2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid

C17H19NO3 — CID 99936616

IUPAC2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
SMILESCCO[C@H](C)c1ccc(-c2ccc(CC(=O)O)cn2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-12(2)14-5-7-15(8-6-14)16-9-4-13(11-18-16)10-17(19)20/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyHWOMIWRZIMJEBZ-GFCCVEGCSA-N
MW285.34 g/mol
LogP3.47
Rot. Bonds6

About 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid

2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid (PubChem CID 99936616) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
PubChem CID99936616
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
SMILESCCO[C@H](C)c1ccc(-c2ccc(CC(=O)O)cn2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-12(2)14-5-7-15(8-6-14)16-9-4-13(11-18-16)10-17(19)20/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyHWOMIWRZIMJEBZ-GFCCVEGCSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid
CID 77079497
5-(4,4-dimethylpentan-2-yl)-2-[4-(1-ethoxyethyl)phenyl]pyridine
CID 171083718
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001562
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
4-[4-(1-ethoxyethyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 122558003
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
CID 56707076
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
4-(1-ethoxyethyl)phenol
CID 15774870
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001558

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid (CID 99936616) is 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid is CCO[C@H](C)c1ccc(-c2ccc(CC(=O)O)cn2)cc1.
What is the InChIKey of 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid?
The InChIKey is HWOMIWRZIMJEBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-12(2)14-5-7-15(8-6-14)16-9-4-13(11-18-16)10-17(19)20/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid?
2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 99936616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).