3-aminoazetidine-1-carboxamide

C4H9N3O — CID 63766744

IUPAC3-aminoazetidine-1-carboxamide
SMILESNC(=O)N1CC(N)C1
InChIInChI=1S/C4H9N3O/c5-3-1-7(2-3)4(6)8/h3H,1-2,5H2,(H2,6,8)
InChIKeyWMTWYNOXCIFOJI-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.29
Rot. Bonds

About 3-aminoazetidine-1-carboxamide

3-aminoazetidine-1-carboxamide (PubChem CID 63766744) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 3-aminoazetidine-1-carboxamide.

Molecular Properties

Compound Name3-aminoazetidine-1-carboxamide
PubChem CID63766744
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name3-aminoazetidine-1-carboxamide
SMILESNC(=O)N1CC(N)C1
InChIInChI=1S/C4H9N3O/c5-3-1-7(2-3)4(6)8/h3H,1-2,5H2,(H2,6,8)
InChIKeyWMTWYNOXCIFOJI-UHFFFAOYSA-N
XLogP-1.29
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-1-carboxamide?
The IUPAC name of 3-aminoazetidine-1-carboxamide (CID 63766744) is 3-aminoazetidine-1-carboxamide.
What is the SMILES notation for 3-aminoazetidine-1-carboxamide?
The canonical SMILES for 3-aminoazetidine-1-carboxamide is NC(=O)N1CC(N)C1.
What is the InChIKey of 3-aminoazetidine-1-carboxamide?
The InChIKey is WMTWYNOXCIFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c5-3-1-7(2-3)4(6)8/h3H,1-2,5H2,(H2,6,8).
What are the key properties of 3-aminoazetidine-1-carboxamide?
3-aminoazetidine-1-carboxamide has a molecular weight of 115.14 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-1-carboxamide is sourced from PubChem (CID 63766744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).