(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C11H20N2O3SSi — CID 22816630

IUPAC(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@]1(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C11H20N2O3SSi/c1-10(2)11(9(15)16,18(3,4)5)13-7(14)6(12)8(13)17-10/h6,8H,12H2,1-5H3,(H,15,16)/t6-,8-,11-/m1/s1
InChIKeyMXMXZBLUVUIHSQ-AZTOOPQRSA-N
MW288.44 g/mol
LogP0.71
Rot. Bonds2

About (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 22816630) has the molecular formula C11H20N2O3SSi and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID22816630
Molecular FormulaC11H20N2O3SSi
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@]1(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C11H20N2O3SSi/c1-10(2)11(9(15)16,18(3,4)5)13-7(14)6(12)8(13)17-10/h6,8H,12H2,1-5H3,(H,15,16)/t6-,8-,11-/m1/s1
InChIKeyMXMXZBLUVUIHSQ-AZTOOPQRSA-N
XLogP0.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 22816630) is (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@]1(C(=O)O)[Si](C)(C)C.
What is the InChIKey of (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is MXMXZBLUVUIHSQ-AZTOOPQRSA-N. The full InChI is InChI=1S/C11H20N2O3SSi/c1-10(2)11(9(15)16,18(3,4)5)13-7(14)6(12)8(13)17-10/h6,8H,12H2,1-5H3,(H,15,16)/t6-,8-,11-/m1/s1.
What are the key properties of (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
(2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 288.44 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-6-amino-3,3-dimethyl-7-oxo-2-trimethylsilyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 22816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).