7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C11H18N2O4 — CID 106113049

IUPAC7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(CN)C(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C11H18N2O4/c1-17-9(5-12)10(14)13-6-2-3-8(13)7(4-6)11(15)16/h6-9H,2-5,12H2,1H3,(H,15,16)
InChIKeyYDOWWZOBPQXRIJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.58
Rot. Bonds4

About 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106113049) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106113049
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(CN)C(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C11H18N2O4/c1-17-9(5-12)10(14)13-6-2-3-8(13)7(4-6)11(15)16/h6-9H,2-5,12H2,1H3,(H,15,16)
InChIKeyYDOWWZOBPQXRIJ-UHFFFAOYSA-N
XLogP-0.58
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 106113049) is 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is COC(CN)C(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YDOWWZOBPQXRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-17-9(5-12)10(14)13-6-2-3-8(13)7(4-6)11(15)16/h6-9H,2-5,12H2,1H3,(H,15,16).
What are the key properties of 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2-methoxypropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106113049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).