2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid

C16H17NO2 — CID 139662203

IUPAC2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
SMILESCC(Cc1ccc(CC(=O)O)cc1)c1cccnc1
InChIInChI=1S/C16H17NO2/c1-12(15-3-2-8-17-11-15)9-13-4-6-14(7-5-13)10-16(18)19/h2-8,11-12H,9-10H2,1H3,(H,18,19)
InChIKeyKPSZWESXHVWNGD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds5

About 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid

2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid (PubChem CID 139662203) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
PubChem CID139662203
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
SMILESCC(Cc1ccc(CC(=O)O)cc1)c1cccnc1
InChIInChI=1S/C16H17NO2/c1-12(15-3-2-8-17-11-15)9-13-4-6-14(7-5-13)10-16(18)19/h2-8,11-12H,9-10H2,1H3,(H,18,19)
InChIKeyKPSZWESXHVWNGD-UHFFFAOYSA-N
XLogP3.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66868100
CID 66868100
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
3-pyridin-3-ylbutan-1-ol
CID 23506282
1,4-bis(2-phenylpropyl)benzene
CID 19376086
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
ethyl 3-pyridin-3-ylbutanoate
CID 12727116

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid (CID 139662203) is 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid is CC(Cc1ccc(CC(=O)O)cc1)c1cccnc1.
What is the InChIKey of 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid?
The InChIKey is KPSZWESXHVWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(15-3-2-8-17-11-15)9-13-4-6-14(7-5-13)10-16(18)19/h2-8,11-12H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid?
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid is sourced from PubChem (CID 139662203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).