2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid

C17H23NO2 — CID 103254735

IUPAC2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CNC2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO2/c1-11(17(19)20)14-5-2-12(3-6-14)10-18-16-9-13-4-7-15(16)8-13/h2-3,5-6,11,13,15-16,18H,4,7-10H2,1H3,(H,19,20)
InChIKeyMAMZDRQDLCJGAI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid

2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid (PubChem CID 103254735) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
PubChem CID103254735
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CNC2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO2/c1-11(17(19)20)14-5-2-12(3-6-14)10-18-16-9-13-4-7-15(16)8-13/h2-3,5-6,11,13,15-16,18H,4,7-10H2,1H3,(H,19,20)
InChIKeyMAMZDRQDLCJGAI-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480
2-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]propanoic acid
CID 103266906
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-propan-2-ylphenyl)propanamide
CID 41455014
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573
5-[(2-bicyclo[2.2.1]heptanylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103254703
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309951
N-[(1S,2S)-1-amino-1-hydroxy-3-(hydroxyamino)-3-oxopropan-2-yl]-4-[4-[[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]methyl]phenyl]benzamide
CID 89279585
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid (CID 103254735) is 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(CNC2CC3CCC2C3)cc1.
What is the InChIKey of 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid?
The InChIKey is MAMZDRQDLCJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(17(19)20)14-5-2-12(3-6-14)10-18-16-9-13-4-7-15(16)8-13/h2-3,5-6,11,13,15-16,18H,4,7-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid?
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid is sourced from PubChem (CID 103254735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).