2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid

C12H20N2O4 — CID 79272229

IUPAC2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC2CCC1N2
InChIInChI=1S/C12H20N2O4/c1-18-5-4-14(7-11(15)16)12(17)9-6-8-2-3-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,15,16)
InChIKeyYAYCMWQWGAZOQZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds6

About 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid

2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid (PubChem CID 79272229) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid
PubChem CID79272229
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC2CCC1N2
InChIInChI=1S/C12H20N2O4/c1-18-5-4-14(7-11(15)16)12(17)9-6-8-2-3-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,15,16)
InChIKeyYAYCMWQWGAZOQZ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid (CID 79272229) is 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC2CCC1N2.
What is the InChIKey of 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is YAYCMWQWGAZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-5-4-14(7-11(15)16)12(17)9-6-8-2-3-10(9)13-8/h8-10,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid?
2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-azabicyclo[2.2.1]heptane-2-carbonyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).