N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide

C10H17N3O3 — CID 107211794

IUPACN-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide
SMILESNCCNC(=O)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H17N3O3/c11-3-4-12-8(14)9(15)13-5-10(16,6-13)7-1-2-7/h7,16H,1-6,11H2,(H,12,14)
InChIKeyVYCUWLQHTLFGRH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.96
Rot. Bonds3

About N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide

N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide (PubChem CID 107211794) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide
PubChem CID107211794
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide
SMILESNCCNC(=O)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C10H17N3O3/c11-3-4-12-8(14)9(15)13-5-10(16,6-13)7-1-2-7/h7,16H,1-6,11H2,(H,12,14)
InChIKeyVYCUWLQHTLFGRH-UHFFFAOYSA-N
XLogP-1.96
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide (CID 107211794) is N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide is NCCNC(=O)C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide?
The InChIKey is VYCUWLQHTLFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-3-4-12-8(14)9(15)13-5-10(16,6-13)7-1-2-7/h7,16H,1-6,11H2,(H,12,14).
What are the key properties of N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide?
N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide has a molecular weight of 227.26 g/mol, XLogP of -1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 107211794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).