2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid

C10H18N2O3 — CID 117050503

IUPAC2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid
SMILESNCC1(O)CC2CCC1CN2CC(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-10(15)3-8-2-1-7(10)4-12(8)5-9(13)14/h7-8,15H,1-6,11H2,(H,13,14)
InChIKeyKEIHCXOCZYFKFV-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.75
Rot. Bonds3

About 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid

2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid (PubChem CID 117050503) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid
PubChem CID117050503
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid
SMILESNCC1(O)CC2CCC1CN2CC(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-10(15)3-8-2-1-7(10)4-12(8)5-9(13)14/h7-8,15H,1-6,11H2,(H,13,14)
InChIKeyKEIHCXOCZYFKFV-UHFFFAOYSA-N
XLogP-0.75
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid?
The IUPAC name of 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid (CID 117050503) is 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid is NCC1(O)CC2CCC1CN2CC(=O)O.
What is the InChIKey of 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid?
The InChIKey is KEIHCXOCZYFKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-6-10(15)3-8-2-1-7(10)4-12(8)5-9(13)14/h7-8,15H,1-6,11H2,(H,13,14).
What are the key properties of 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid?
2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]acetic acid is sourced from PubChem (CID 117050503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).