2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

C12H20N2O3 — CID 66371178

IUPAC2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESNC(CN1CC2CCC(C1)O2)(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c13-12(11(15)16,8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-10H,1-7,13H2,(H,15,16)
InChIKeySJTBFHASXFEVLE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.04
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid

2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (PubChem CID 66371178) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
PubChem CID66371178
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
SMILESNC(CN1CC2CCC(C1)O2)(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c13-12(11(15)16,8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-10H,1-7,13H2,(H,15,16)
InChIKeySJTBFHASXFEVLE-UHFFFAOYSA-N
XLogP0.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid (CID 66371178) is 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is NC(CN1CC2CCC(C1)O2)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
The InChIKey is SJTBFHASXFEVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(11(15)16,8-1-2-8)7-14-5-9-3-4-10(6-14)17-9/h8-10H,1-7,13H2,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid is sourced from PubChem (CID 66371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).