2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid

C10H17NO3 — CID 121202157

IUPAC2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1CC2CC(C1)C2O
InChIInChI=1S/C10H17NO3/c1-2-8(10(13)14)11-4-6-3-7(5-11)9(6)12/h6-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyBORWOTHCONSGEY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.16
Rot. Bonds3

About 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid

2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid (PubChem CID 121202157) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid
PubChem CID121202157
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid
SMILESCCC(C(=O)O)N1CC2CC(C1)C2O
InChIInChI=1S/C10H17NO3/c1-2-8(10(13)14)11-4-6-3-7(5-11)9(6)12/h6-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyBORWOTHCONSGEY-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic 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-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid?
The IUPAC name of 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid (CID 121202157) is 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid.
What is the SMILES notation for 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid?
The canonical SMILES for 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid is CCC(C(=O)O)N1CC2CC(C1)C2O.
What is the InChIKey of 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid?
The InChIKey is BORWOTHCONSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8(10(13)14)11-4-6-3-7(5-11)9(6)12/h6-9,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid?
2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)butanoic acid is sourced from PubChem (CID 121202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).