4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid

C20H30N2O2 — CID 122084433

IUPAC4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N2O2/c1-20(2,19(23)24)10-11-21-16-12-17-8-9-18(13-16)22(17)14-15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,23,24)
InChIKeyUXUHJUMQXQHXRH-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.27
Rot. Bonds7

About 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid

4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid (PubChem CID 122084433) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
PubChem CID122084433
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N2O2/c1-20(2,19(23)24)10-11-21-16-12-17-8-9-18(13-16)22(17)14-15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,23,24)
InChIKeyUXUHJUMQXQHXRH-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid with MolForge

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Related Compounds

(2S)-2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119886014
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
CID 118993423
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]hexanoic acid
CID 122039605
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
CID 122039830
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
4-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122127228

Frequently Asked Questions

What is the IUPAC name of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid (CID 122084433) is 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid is CC(C)(CCNC1CC2CCC(C1)N2Cc1ccccc1)C(=O)O.
What is the InChIKey of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is UXUHJUMQXQHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,19(23)24)10-11-21-16-12-17-8-9-18(13-16)22(17)14-15-6-4-3-5-7-15/h3-7,16-18,21H,8-14H2,1-2H3,(H,23,24).
What are the key properties of 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid?
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 330.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122084433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).