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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Related Compounds

7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106991473
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
(2S,4R)-1-(3-amino-2-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106112905
7-(1-aminocyclobutanecarbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 81168826
1-[1-(3-amino-2-methoxypropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 106112353
7-(but-3-yn-2-ylcarbamoyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114418573
7-methylsulfinyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 127006196
(1S,2R,4R)-7-[(1R,2R,4R)-bicyclo[2.2.2]oct-5-ene-2-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 154868448
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
7-heptan-2-yl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 80558528
(1S,2R,4S)-7-[benzyl(methyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 129379681

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).