2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid

C10H15NO5 — CID 80717636

IUPAC2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H15NO5/c12-9(4-15-5-10(13)14)11-7-3-6-1-2-8(7)16-6/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyPNOKPENLLQAMEN-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.48
Rot. Bonds5

About 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid

2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid (PubChem CID 80717636) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
PubChem CID80717636
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H15NO5/c12-9(4-15-5-10(13)14)11-7-3-6-1-2-8(7)16-6/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyPNOKPENLLQAMEN-UHFFFAOYSA-N
XLogP-0.48
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic 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-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid (CID 80717636) is 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid?
The InChIKey is PNOKPENLLQAMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-9(4-15-5-10(13)14)11-7-3-6-1-2-8(7)16-6/h6-8H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid?
2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid has a molecular weight of 229.23 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 80717636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).