(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid

C15H15NO2 — CID 95562119

IUPAC(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)CC[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO2/c17-15(18)10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9-10H2,(H,17,18)/t13-/m0/s1
InChIKeyCLJCFMBMUJLYRX-ZDUSSCGKSA-N
MW241.29 g/mol
LogP3.08
Rot. Bonds5

About (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid

(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid (PubChem CID 95562119) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
PubChem CID95562119
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)CC[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO2/c17-15(18)10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9-10H2,(H,17,18)/t13-/m0/s1
InChIKeyCLJCFMBMUJLYRX-ZDUSSCGKSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-pyridin-2-ylbutanoic acid
CID 55292382
5-oxo-4-pyridin-2-yl-5-sulfanylpentanoic acid;hydrochloride
CID 142115465
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobut-2-enoic acid
CID 133052756
5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
CID 112517228
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid?
The IUPAC name of (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid (CID 95562119) is (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid is O=C(O)CC[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid?
The InChIKey is CLJCFMBMUJLYRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9-10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid?
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 95562119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).