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

C19H28N2O2 — CID 122039830

IUPAC2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H28N2O2/c1-2-6-18(19(22)23)20-15-11-16-9-10-17(12-15)21(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,2,6,9-13H2,1H3,(H,22,23)
InChIKeyGQIGTSZFEBEGMX-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.02
Rot. Bonds7

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

2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid (PubChem CID 122039830) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
PubChem CID122039830
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H28N2O2/c1-2-6-18(19(22)23)20-15-11-16-9-10-17(12-15)21(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,2,6,9-13H2,1H3,(H,22,23)
InChIKeyGQIGTSZFEBEGMX-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
CID 122039605
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
(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
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylpentan-1-one
CID 171938575
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
methyl 3-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoylamino]piperidine-1-carboxylate
CID 86937356
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
CID 65055653

Frequently Asked Questions

What is the IUPAC name of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid (CID 122039830) is 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid is CCCC(NC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid?
The InChIKey is GQIGTSZFEBEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-6-18(19(22)23)20-15-11-16-9-10-17(12-15)21(16)13-14-7-4-3-5-8-14/h3-5,7-8,15-18,20H,2,6,9-13H2,1H3,(H,22,23).
What are the key properties of 2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid?
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid has a molecular weight of 316.44 g/mol, XLogP of 3.02, 7 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]pentanoic acid is sourced from PubChem (CID 122039830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).