(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

C9H15NO3 — CID 124526247

IUPAC(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESCO[C@]12CN(C)CC[C@@H]1[C@@H]2C(=O)O
InChIInChI=1S/C9H15NO3/c1-10-4-3-6-7(8(11)12)9(6,5-10)13-2/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1
InChIKeyDFJHSTIEMBTWCL-ZXFLCMHBSA-N
MW185.22 g/mol
LogP0.04
Rot. Bonds2

About (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid (PubChem CID 124526247) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
PubChem CID124526247
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESCO[C@]12CN(C)CC[C@@H]1[C@@H]2C(=O)O
InChIInChI=1S/C9H15NO3/c1-10-4-3-6-7(8(11)12)9(6,5-10)13-2/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1
InChIKeyDFJHSTIEMBTWCL-ZXFLCMHBSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The IUPAC name of (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid (CID 124526247) is (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid.
What is the SMILES notation for (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The canonical SMILES for (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid is CO[C@]12CN(C)CC[C@@H]1[C@@H]2C(=O)O.
What is the InChIKey of (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
The InChIKey is DFJHSTIEMBTWCL-ZXFLCMHBSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-4-3-6-7(8(11)12)9(6,5-10)13-2/h6-7H,3-5H2,1-2H3,(H,11,12)/t6-,7-,9-/m1/s1.
What are the key properties of (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid?
(1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S)-1-methoxy-3-methyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid is sourced from PubChem (CID 124526247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).