2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid

C12H20N2O2 — CID 105366214

IUPAC2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCN2CCC1C2
InChIInChI=1S/C12H20N2O2/c1-2-5-14(9-12(15)16)11-4-7-13-6-3-10(11)8-13/h2,10-11H,1,3-9H2,(H,15,16)
InChIKeyACXOMIQCHAPQBL-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.65
Rot. Bonds5

About 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid

2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid (PubChem CID 105366214) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
PubChem CID105366214
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C1CCN2CCC1C2
InChIInChI=1S/C12H20N2O2/c1-2-5-14(9-12(15)16)11-4-7-13-6-3-10(11)8-13/h2,10-11H,1,3-9H2,(H,15,16)
InChIKeyACXOMIQCHAPQBL-UHFFFAOYSA-N
XLogP0.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
CID 79275648
2-[1-azabicyclo[2.2.2]octan-3-yl(prop-2-ynyl)amino]acetic acid
CID 79283426
2-[(2,5-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285353
2-[(2-methoxycyclohexyl)-prop-2-enylamino]acetic acid
CID 106874536
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
2-[1-azabicyclo[2.2.2]octan-3-yl(propan-2-yl)amino]acetic acid
CID 65056890
N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365605
2-[(2-oxoazepan-4-yl)-prop-2-enylamino]acetic acid
CID 79276623
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)-prop-2-enylamino]acetic acid
CID 79270389
2-[(2,5-dioxopyrrolidin-3-yl)-prop-2-enylamino]acetic acid
CID 79277258
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79262829

Frequently Asked Questions

What is the IUPAC name of 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid (CID 105366214) is 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C1CCN2CCC1C2.
What is the InChIKey of 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid?
The InChIKey is ACXOMIQCHAPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-5-14(9-12(15)16)11-4-7-13-6-3-10(11)8-13/h2,10-11H,1,3-9H2,(H,15,16).
What are the key properties of 2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid?
2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid has a molecular weight of 224.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 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-yl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 105366214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).