2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C16H20ClNO2 — CID 79606153

IUPAC2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO2/c17-13-3-1-2-11(6-13)10-18-14-4-5-15(18)8-12(7-14)9-16(19)20/h1-3,6,12,14-15H,4-5,7-10H2,(H,19,20)
InChIKeyGGTLAQLVPYWRMX-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.56
Rot. Bonds4

About 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79606153) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79606153
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2Cc1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO2/c17-13-3-1-2-11(6-13)10-18-14-4-5-15(18)8-12(7-14)9-16(19)20/h1-3,6,12,14-15H,4-5,7-10H2,(H,19,20)
InChIKeyGGTLAQLVPYWRMX-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
3-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)propanal
CID 83913183
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
N-tert-butyl-2-[(1R,5S)-3-[3-(3-chlorophenyl)-2-oxopropyl]-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 161164460
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
2-[8-[(2,4-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610176
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 12002973
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712587
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79606153) is 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2Cc1cccc(Cl)c1.
What is the InChIKey of 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is GGTLAQLVPYWRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-13-3-1-2-11(6-13)10-18-14-4-5-15(18)8-12(7-14)9-16(19)20/h1-3,6,12,14-15H,4-5,7-10H2,(H,19,20).
What are the key properties of 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 293.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79606153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).