(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C15H19NO2 — CID 90679927

IUPAC(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1[C@@H]2CC[C@@H]1[C@@H](c1ccccc1)[C@@H](C(=O)O)C2
InChIInChI=1S/C15H19NO2/c1-16-11-7-8-13(16)14(12(9-11)15(17)18)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,17,18)/t11-,12+,13-,14+/m1/s1
InChIKeyHDWGDJFXSQUATO-RQJABVFESA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds2

About (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 90679927) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID90679927
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1[C@@H]2CC[C@@H]1[C@@H](c1ccccc1)[C@@H](C(=O)O)C2
InChIInChI=1S/C15H19NO2/c1-16-11-7-8-13(16)14(12(9-11)15(17)18)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,17,18)/t11-,12+,13-,14+/m1/s1
InChIKeyHDWGDJFXSQUATO-RQJABVFESA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid with MolForge

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Related Compounds

Troparil
CID 170832
Meperidine acid
CID 101106
methyl (2S,3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 44462219
(R)-4-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)butanoic Acid
CID 78321360
3-Benzyl-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 21704736
3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanoic acid
CID 44233189
R-8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44345538
Methyl 3-phenyl-3-piperidin-2-ylpropanoate
CID 44354511
(R)-3-(4'-(2-(2-methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoic acid
CID 76286162
2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]acetic acid
CID 78324474
(R)-2-Methyl-2-(4'-(2-(2-methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoic Acid
CID 78324788
Troparil, (+)-
CID 10083915

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 90679927) is (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CN1[C@@H]2CC[C@@H]1[C@@H](c1ccccc1)[C@@H](C(=O)O)C2.
What is the InChIKey of (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is HDWGDJFXSQUATO-RQJABVFESA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-11-7-8-13(16)14(12(9-11)15(17)18)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,17,18)/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
(1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 90679927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).