3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid

C17H21NO3 — CID 62883678

IUPAC3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H21NO3/c19-16(14-9-11-6-7-13(14)8-11)18-10-15(17(20)21)12-4-2-1-3-5-12/h1-5,11,13-15H,6-10H2,(H,18,19)(H,20,21)
InChIKeyYCHNUKKQCZTDOT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds5

About 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid

3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid (PubChem CID 62883678) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
PubChem CID62883678
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNC(=O)C1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H21NO3/c19-16(14-9-11-6-7-13(14)8-11)18-10-15(17(20)21)12-4-2-1-3-5-12/h1-5,11,13-15H,6-10H2,(H,18,19)(H,20,21)
InChIKeyYCHNUKKQCZTDOT-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98365932
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51296083
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
2-phenyl-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 119254618
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844
N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 66176464
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225

Frequently Asked Questions

What is the IUPAC name of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid (CID 62883678) is 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid is O=C(O)C(CNC(=O)C1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid?
The InChIKey is YCHNUKKQCZTDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(14-9-11-6-7-13(14)8-11)18-10-15(17(20)21)12-4-2-1-3-5-12/h1-5,11,13-15H,6-10H2,(H,18,19)(H,20,21).
What are the key properties of 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid?
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62883678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).