(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C10H13N3O3 — CID 175999153

IUPAC(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1N
InChIInChI=1S/C10H13N3O3/c1-4-8(11)9(12-16-4)7-5-2-13(10(14)15)3-6(5)7/h5-7H,2-3,11H2,1H3,(H,14,15)/t5-,6+,7?
InChIKeyCGQBRCHOEYUKAU-MEKDEQNOSA-N
MW223.23 g/mol
LogP0.89
Rot. Bonds1

About (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 175999153) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID175999153
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1N
InChIInChI=1S/C10H13N3O3/c1-4-8(11)9(12-16-4)7-5-2-13(10(14)15)3-6(5)7/h5-7H,2-3,11H2,1H3,(H,14,15)/t5-,6+,7?
InChIKeyCGQBRCHOEYUKAU-MEKDEQNOSA-N
XLogP0.89
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 175999153) is (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is Cc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1N.
What is the InChIKey of (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is CGQBRCHOEYUKAU-MEKDEQNOSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-4-8(11)9(12-16-4)7-5-2-13(10(14)15)3-6(5)7/h5-7H,2-3,11H2,1H3,(H,14,15)/t5-,6+,7?.
What are the key properties of (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(4-amino-5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 175999153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).