N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide

C9H14N2O3S — CID 88806123

IUPACN-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide
SMILESCC(=O)NC1(O)N2C(=O)C[C@H]2SC1(C)C
InChIInChI=1S/C9H14N2O3S/c1-5(12)10-9(14)8(2,3)15-7-4-6(13)11(7)9/h7,14H,4H2,1-3H3,(H,10,12)/t7-,9?/m1/s1
InChIKeyKUZJQQXQISBYIB-YOXFSPIKSA-N
MW230.29 g/mol
LogP-0.15
Rot. Bonds1

About N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide

N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide (PubChem CID 88806123) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide
PubChem CID88806123
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide
SMILESCC(=O)NC1(O)N2C(=O)C[C@H]2SC1(C)C
InChIInChI=1S/C9H14N2O3S/c1-5(12)10-9(14)8(2,3)15-7-4-6(13)11(7)9/h7,14H,4H2,1-3H3,(H,10,12)/t7-,9?/m1/s1
InChIKeyKUZJQQXQISBYIB-YOXFSPIKSA-N
XLogP-0.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-2-amino-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CID 154093045
2-Acetamido-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid
CID 175776322
(5R)-2-acetamido-3-ethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid
CID 88751080

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide?
The IUPAC name of N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide (CID 88806123) is N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide.
What is the SMILES notation for N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide?
The canonical SMILES for N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide is CC(=O)NC1(O)N2C(=O)C[C@H]2SC1(C)C.
What is the InChIKey of N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide?
The InChIKey is KUZJQQXQISBYIB-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-5(12)10-9(14)8(2,3)15-7-4-6(13)11(7)9/h7,14H,4H2,1-3H3,(H,10,12)/t7-,9?/m1/s1.
What are the key properties of N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide?
N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide has a molecular weight of 230.29 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]acetamide is sourced from PubChem (CID 88806123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).