3-(azetidin-3-yloxy)-2-formamidopropanamide

C7H13N3O3 — CID 177147100

IUPAC3-(azetidin-3-yloxy)-2-formamidopropanamide
SMILESNC(=O)C(COC1CNC1)NC=O
InChIInChI=1S/C7H13N3O3/c8-7(12)6(10-4-11)3-13-5-1-9-2-5/h4-6,9H,1-3H2,(H2,8,12)(H,10,11)
InChIKeyGZEOXDWHLVNDNL-UHFFFAOYSA-N
MW187.20 g/mol
LogP-2.43
Rot. Bonds6

About 3-(azetidin-3-yloxy)-2-formamidopropanamide

3-(azetidin-3-yloxy)-2-formamidopropanamide (PubChem CID 177147100) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-2-formamidopropanamide.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-2-formamidopropanamide
PubChem CID177147100
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name3-(azetidin-3-yloxy)-2-formamidopropanamide
SMILESNC(=O)C(COC1CNC1)NC=O
InChIInChI=1S/C7H13N3O3/c8-7(12)6(10-4-11)3-13-5-1-9-2-5/h4-6,9H,1-3H2,(H2,8,12)(H,10,11)
InChIKeyGZEOXDWHLVNDNL-UHFFFAOYSA-N
XLogP-2.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-2-formamidopropanamide?
The IUPAC name of 3-(azetidin-3-yloxy)-2-formamidopropanamide (CID 177147100) is 3-(azetidin-3-yloxy)-2-formamidopropanamide.
What is the SMILES notation for 3-(azetidin-3-yloxy)-2-formamidopropanamide?
The canonical SMILES for 3-(azetidin-3-yloxy)-2-formamidopropanamide is NC(=O)C(COC1CNC1)NC=O.
What is the InChIKey of 3-(azetidin-3-yloxy)-2-formamidopropanamide?
The InChIKey is GZEOXDWHLVNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-7(12)6(10-4-11)3-13-5-1-9-2-5/h4-6,9H,1-3H2,(H2,8,12)(H,10,11).
What are the key properties of 3-(azetidin-3-yloxy)-2-formamidopropanamide?
3-(azetidin-3-yloxy)-2-formamidopropanamide has a molecular weight of 187.20 g/mol, XLogP of -2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-2-formamidopropanamide is sourced from PubChem (CID 177147100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).