3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid

C14H26N2O3 — CID 104645056

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCCN(CC(C)(O)C(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O3/c1-3-6-16(9-14(2,19)13(17)18)12-7-10-4-5-11(8-12)15-10/h10-12,15,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyVEVNWVXKDMXIPN-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.82
Rot. Bonds6

About 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104645056) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104645056
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCCN(CC(C)(O)C(=O)O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O3/c1-3-6-16(9-14(2,19)13(17)18)12-7-10-4-5-11(8-12)15-10/h10-12,15,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyVEVNWVXKDMXIPN-UHFFFAOYSA-N
XLogP0.82
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanoic acid
CID 43139797
3-[8-Azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 61230398
3-[8-Azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propanoic acid
CID 61230794
3-[8-Azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-methylpropanoic acid
CID 61230803
3-[8-Azabicyclo[3.2.1]octan-3-yl(propyl)amino]propanoic acid
CID 61231947
3-[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2-methylpropanoic acid
CID 61233362
3-[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]propanoic acid
CID 61233377
3-(3-Amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropanoic acid
CID 61234809
3-(4-Aminopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 64471017
2-Hydroxy-2-methyl-3-[methyl(piperidin-4-yl)amino]propanoic acid
CID 64471234
2-Hydroxy-2-methyl-3-[piperidin-4-yl(propyl)amino]propanoic acid
CID 64471236
3-[Ethyl(piperidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 64471446

Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 104645056) is 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid is CCCN(CC(C)(O)C(=O)O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VEVNWVXKDMXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-6-16(9-14(2,19)13(17)18)12-7-10-4-5-11(8-12)15-10/h10-12,15,19H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104645056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).