2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C18H25NO2 — CID 79609955

IUPAC2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1ccc(C(C)N2C3CCC2CC(CC(=O)O)C3)cc1
InChIInChI=1S/C18H25NO2/c1-12-3-5-15(6-4-12)13(2)19-16-7-8-17(19)10-14(9-16)11-18(20)21/h3-6,13-14,16-17H,7-11H2,1-2H3,(H,20,21)
InChIKeyKBDHDWDOKVBTCD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.77
Rot. Bonds4

About 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79609955) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79609955
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1ccc(C(C)N2C3CCC2CC(CC(=O)O)C3)cc1
InChIInChI=1S/C18H25NO2/c1-12-3-5-15(6-4-12)13(2)19-16-7-8-17(19)10-14(9-16)11-18(20)21/h3-6,13-14,16-17H,7-11H2,1-2H3,(H,20,21)
InChIKeyKBDHDWDOKVBTCD-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-[8-[1-(5-bromothiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606546
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
2-[8-[(2,4-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610176
2-[8-(5-methylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609055
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
2-[(2S,4R)-1-[4-methyl-1-(4-methylphenyl)pentyl]-2-(4-methylphenyl)piperidin-4-yl]acetic acid
CID 70326679
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[8-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609128
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508

Frequently Asked Questions

What is the IUPAC name of 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79609955) is 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1ccc(C(C)N2C3CCC2CC(CC(=O)O)C3)cc1.
What is the InChIKey of 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is KBDHDWDOKVBTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-3-5-15(6-4-12)13(2)19-16-7-8-17(19)10-14(9-16)11-18(20)21/h3-6,13-14,16-17H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 287.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79609955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).