3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

C16H18N2O2 — CID 156541095

IUPAC3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(-c2ccnc(N)c2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O2/c1-16(2,15(19)20)10-11-3-5-12(6-4-11)13-7-8-18-14(17)9-13/h3-9H,10H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyABOVYBJVTOPKPU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds4

About 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid

3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 156541095) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID156541095
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccc(-c2ccnc(N)c2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O2/c1-16(2,15(19)20)10-11-3-5-12(6-4-11)13-7-8-18-14(17)9-13/h3-9H,10H2,1-2H3,(H2,17,18)(H,19,20)
InChIKeyABOVYBJVTOPKPU-UHFFFAOYSA-N
XLogP2.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-9684
CID 87609775
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
Phenylpropanoic acid derivative, 36
CID 44263420
(7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 9930471
(7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 10069974
Cyclopentanecarboxylic acid, 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-
CID 126480545
Phenylpropanoic acid derivative, 59
CID 44263424
3-(6-Amino-3-pyridinyl)-2-[[[3-(6-amino-3-pyridinyl)-2-carboxypropyl]diselanyl]methyl]propanoic acid
CID 66563350
4-{[(Pyridin-4-ylmethyl)amino]methyl}cyclohexanecarboxylic acid
CID 5210552
7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-7-(3-pyridyl)-(E)-6-heptenoic acid
CID 10526115
8-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-8-(3-pyridyl)-(E)-7-octenoic acid
CID 10670440
3-{3-[2-(Sulfo-[dimethylamine]-amino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10810477

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid (CID 156541095) is 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1ccc(-c2ccnc(N)c2)cc1)C(=O)O.
What is the InChIKey of 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is ABOVYBJVTOPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,15(19)20)10-11-3-5-12(6-4-11)13-7-8-18-14(17)9-13/h3-9H,10H2,1-2H3,(H2,17,18)(H,19,20).
What are the key properties of 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid?
3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).