(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid

C10H15NO3 — CID 129413549

IUPAC(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
SMILESCC1(C)C(=O)N[C@]2(C(=O)O)CC[C@@H]1C2
InChIInChI=1S/C10H15NO3/c1-9(2)6-3-4-10(5-6,8(13)14)11-7(9)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,10-/m1/s1
InChIKeyIJPMOMKALGILHQ-LHLIQPBNSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds1

About (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid

(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid (PubChem CID 129413549) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
PubChem CID129413549
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
SMILESCC1(C)C(=O)N[C@]2(C(=O)O)CC[C@@H]1C2
InChIInChI=1S/C10H15NO3/c1-9(2)6-3-4-10(5-6,8(13)14)11-7(9)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,10-/m1/s1
InChIKeyIJPMOMKALGILHQ-LHLIQPBNSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid?
The IUPAC name of (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid (CID 129413549) is (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid.
What is the SMILES notation for (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid?
The canonical SMILES for (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid is CC1(C)C(=O)N[C@]2(C(=O)O)CC[C@@H]1C2.
What is the InChIKey of (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid?
The InChIKey is IJPMOMKALGILHQ-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H15NO3/c1-9(2)6-3-4-10(5-6,8(13)14)11-7(9)12/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,10-/m1/s1.
What are the key properties of (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid?
(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid is sourced from PubChem (CID 129413549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).