2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid

C20H30N2O2 — CID 122039605

IUPAC2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N2O2/c1-2-3-9-19(20(23)24)21-16-12-17-10-11-18(13-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-19,21H,2-3,9-14H2,1H3,(H,23,24)
InChIKeyUFZPPZBFRZYVFL-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.41
Rot. Bonds8

About 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid

2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid (PubChem CID 122039605) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
PubChem CID122039605
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N2O2/c1-2-3-9-19(20(23)24)21-16-12-17-10-11-18(13-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-19,21H,2-3,9-14H2,1H3,(H,23,24)
InChIKeyUFZPPZBFRZYVFL-UHFFFAOYSA-N
XLogP3.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid with MolForge

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Related Compounds

2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
CID 122039830
(2S)-2-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]hexanoic acid
CID 122044845
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
methyl 3-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 86937356
2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039690
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
(2S)-2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119886014
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844

Frequently Asked Questions

What is the IUPAC name of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid?
The IUPAC name of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid (CID 122039605) is 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid is CCCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid?
The InChIKey is UFZPPZBFRZYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-3-9-19(20(23)24)21-16-12-17-10-11-18(13-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-19,21H,2-3,9-14H2,1H3,(H,23,24).
What are the key properties of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid?
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid is sourced from PubChem (CID 122039605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).