4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid

C10H18N2O2 — CID 64693579

IUPAC4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C10H18N2O2/c11-4-3-9(10(13)14)12-6-7-1-2-8(12)5-7/h7-9H,1-6,11H2,(H,13,14)
InChIKeyYSTRXFIAPASMAI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.27
Rot. Bonds4

About 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid

4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid (PubChem CID 64693579) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid
PubChem CID64693579
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid
SMILESNCCC(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C10H18N2O2/c11-4-3-9(10(13)14)12-6-7-1-2-8(12)5-7/h7-9H,1-6,11H2,(H,13,14)
InChIKeyYSTRXFIAPASMAI-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid?
The IUPAC name of 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid (CID 64693579) is 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid is NCCC(C(=O)O)N1CC2CCC1C2.
What is the InChIKey of 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid?
The InChIKey is YSTRXFIAPASMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-4-3-9(10(13)14)12-6-7-1-2-8(12)5-7/h7-9H,1-6,11H2,(H,13,14).
What are the key properties of 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid?
4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)butanoic acid is sourced from PubChem (CID 64693579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).