1-N,1-N-dimethylazetidine-1,3-dicarboxamide

C7H13N3O2 — CID 130950203

IUPAC1-N,1-N-dimethylazetidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H13N3O2/c1-9(2)7(12)10-3-5(4-10)6(8)11/h5H,3-4H2,1-2H3,(H2,8,11)
InChIKeyPXURQBXOBVYXLP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.91
Rot. Bonds1

About 1-N,1-N-dimethylazetidine-1,3-dicarboxamide

1-N,1-N-dimethylazetidine-1,3-dicarboxamide (PubChem CID 130950203) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-N,1-N-dimethylazetidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethylazetidine-1,3-dicarboxamide
PubChem CID130950203
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-N,1-N-dimethylazetidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H13N3O2/c1-9(2)7(12)10-3-5(4-10)6(8)11/h5H,3-4H2,1-2H3,(H2,8,11)
InChIKeyPXURQBXOBVYXLP-UHFFFAOYSA-N
XLogP-0.91
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylazetidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethylazetidine-1,3-dicarboxamide (CID 130950203) is 1-N,1-N-dimethylazetidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethylazetidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethylazetidine-1,3-dicarboxamide is CN(C)C(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-N,1-N-dimethylazetidine-1,3-dicarboxamide?
The InChIKey is PXURQBXOBVYXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9(2)7(12)10-3-5(4-10)6(8)11/h5H,3-4H2,1-2H3,(H2,8,11).
What are the key properties of 1-N,1-N-dimethylazetidine-1,3-dicarboxamide?
1-N,1-N-dimethylazetidine-1,3-dicarboxamide has a molecular weight of 171.20 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylazetidine-1,3-dicarboxamide is sourced from PubChem (CID 130950203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).