(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C10H12N2O3 — CID 67972032

IUPAC(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1cnc(C2[C@H]3CN(C(=O)O)C[C@@H]23)o1
InChIInChI=1S/C10H12N2O3/c1-5-2-11-9(15-5)8-6-3-12(10(13)14)4-7(6)8/h2,6-8H,3-4H2,1H3,(H,13,14)/t6-,7+,8?
InChIKeyHTVTWCNFCZLYIP-DHBOJHSNSA-N
MW208.22 g/mol
LogP1.31
Rot. Bonds1

About (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 67972032) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID67972032
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1cnc(C2[C@H]3CN(C(=O)O)C[C@@H]23)o1
InChIInChI=1S/C10H12N2O3/c1-5-2-11-9(15-5)8-6-3-12(10(13)14)4-7(6)8/h2,6-8H,3-4H2,1H3,(H,13,14)/t6-,7+,8?
InChIKeyHTVTWCNFCZLYIP-DHBOJHSNSA-N
XLogP1.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 67972032) is (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is Cc1cnc(C2[C@H]3CN(C(=O)O)C[C@@H]23)o1.
What is the InChIKey of (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is HTVTWCNFCZLYIP-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-5-2-11-9(15-5)8-6-3-12(10(13)14)4-7(6)8/h2,6-8H,3-4H2,1H3,(H,13,14)/t6-,7+,8?.
What are the key properties of (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 67972032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).