N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide

C9H15N3O2 — CID 170730136

IUPACN-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide
SMILESCNC(=O)C(=O)N1C[C@@H]2CN(C)[C@@H]2C1
InChIInChI=1S/C9H15N3O2/c1-10-8(13)9(14)12-4-6-3-11(2)7(6)5-12/h6-7H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1
InChIKeyHQRXOFYDSAMTAF-NKWVEPMBSA-N
MW197.24 g/mol
LogP-1.50
Rot. Bonds

About N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide

N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide (PubChem CID 170730136) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide
PubChem CID170730136
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide
SMILESCNC(=O)C(=O)N1C[C@@H]2CN(C)[C@@H]2C1
InChIInChI=1S/C9H15N3O2/c1-10-8(13)9(14)12-4-6-3-11(2)7(6)5-12/h6-7H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1
InChIKeyHQRXOFYDSAMTAF-NKWVEPMBSA-N
XLogP-1.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide 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

N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
CID 144525202
methyl 2-(3-azabicyclo[3.2.0]heptan-3-yl)-2-oxoacetate
CID 164659262
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638
N-[(2R,4aS,6aR,6aS,14aS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide
CID 170730053
N,N'-di((113C)methyl)oxamide
CID 169438737
ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
CID 157075887
tert-butyl (4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 155324247
N,2-dimethyl-2-azabicyclo[2.1.1]hexan-5-amine;molecular hydrogen;sulfane
CID 178011671
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-methyl-2-oxoacetamide
CID 108522425
methyl 2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetate
CID 112683938
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide?
The IUPAC name of N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide (CID 170730136) is N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide?
The canonical SMILES for N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide is CNC(=O)C(=O)N1C[C@@H]2CN(C)[C@@H]2C1.
What is the InChIKey of N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide?
The InChIKey is HQRXOFYDSAMTAF-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-8(13)9(14)12-4-6-3-11(2)7(6)5-12/h6-7H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1.
What are the key properties of N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide?
N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide has a molecular weight of 197.24 g/mol, XLogP of -1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1S,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-oxoacetamide is sourced from PubChem (CID 170730136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).