1-(propylamino)azetidine-3-carboxamide

C7H15N3O — CID 141098318

IUPAC1-(propylamino)azetidine-3-carboxamide
SMILESCCCNN1CC(C(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-2-3-9-10-4-6(5-10)7(8)11/h6,9H,2-5H2,1H3,(H2,8,11)
InChIKeyXIWJVNBYBNJXEM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.68
Rot. Bonds4

About 1-(propylamino)azetidine-3-carboxamide

1-(propylamino)azetidine-3-carboxamide (PubChem CID 141098318) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(propylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(propylamino)azetidine-3-carboxamide
PubChem CID141098318
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(propylamino)azetidine-3-carboxamide
SMILESCCCNN1CC(C(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-2-3-9-10-4-6(5-10)7(8)11/h6,9H,2-5H2,1H3,(H2,8,11)
InChIKeyXIWJVNBYBNJXEM-UHFFFAOYSA-N
XLogP-0.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)azetidine-3-carboxamide?
The IUPAC name of 1-(propylamino)azetidine-3-carboxamide (CID 141098318) is 1-(propylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-(propylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-(propylamino)azetidine-3-carboxamide is CCCNN1CC(C(N)=O)C1.
What is the InChIKey of 1-(propylamino)azetidine-3-carboxamide?
The InChIKey is XIWJVNBYBNJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-3-9-10-4-6(5-10)7(8)11/h6,9H,2-5H2,1H3,(H2,8,11).
What are the key properties of 1-(propylamino)azetidine-3-carboxamide?
1-(propylamino)azetidine-3-carboxamide has a molecular weight of 157.22 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)azetidine-3-carboxamide is sourced from PubChem (CID 141098318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).