2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid

C13H24N2O2 — CID 105366139

IUPAC2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCN2CCC1C2)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-3-6-13(2,12(16)17)14-11-5-8-15-7-4-10(11)9-15/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyDAUIHAQQYKOUGQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds5

About 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid

2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid (PubChem CID 105366139) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
PubChem CID105366139
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCN2CCC1C2)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-3-6-13(2,12(16)17)14-11-5-8-15-7-4-10(11)9-15/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyDAUIHAQQYKOUGQ-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
CID 61339773
2-[(2-aminocyclohexyl)amino]-2-methylpentanoic acid
CID 114988647
2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
CID 65055879
3-(1-azabicyclo[3.2.1]octan-4-ylamino)-2,2-dimethylpropanamide
CID 106274781
3-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266274
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid (CID 105366139) is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid is CCCC(C)(NC1CCN2CCC1C2)C(=O)O.
What is the InChIKey of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid?
The InChIKey is DAUIHAQQYKOUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-6-13(2,12(16)17)14-11-5-8-15-7-4-10(11)9-15/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid?
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid is sourced from PubChem (CID 105366139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).