N-(azetidin-3-yl)acetamide;tert-butyl formate

C10H20N2O3 — CID 174943271

IUPACN-(azetidin-3-yl)acetamide;tert-butyl formate
SMILESCC(=O)NC1CNC1.CC(C)(C)OC=O
InChIInChI=1S/C5H10N2O.C5H10O2/c1-4(8)7-5-2-6-3-5;1-5(2,3)7-4-6/h5-6H,2-3H2,1H3,(H,7,8);4H,1-3H3
InChIKeyHUUPNJYGIJNDNH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds2

About N-(azetidin-3-yl)acetamide;tert-butyl formate

N-(azetidin-3-yl)acetamide;tert-butyl formate (PubChem CID 174943271) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)acetamide;tert-butyl formate.

Molecular Properties

Compound NameN-(azetidin-3-yl)acetamide;tert-butyl formate
PubChem CID174943271
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(azetidin-3-yl)acetamide;tert-butyl formate
SMILESCC(=O)NC1CNC1.CC(C)(C)OC=O
InChIInChI=1S/C5H10N2O.C5H10O2/c1-4(8)7-5-2-6-3-5;1-5(2,3)7-4-6/h5-6H,2-3H2,1H3,(H,7,8);4H,1-3H3
InChIKeyHUUPNJYGIJNDNH-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(azetidin-3-yl)acetamide;tert-butyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-aminopyrrolidin-3-ol;tert-butyl formate
CID 174893952
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 174718182
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;pyrrolidine-3-carbohydrazide
CID 174810054
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
tert-butyl formate;3-(difluoromethoxy)azetidine
CID 174766143
azetidin-3-yl-(4-chlorophenyl)methanone;tert-butyl formate
CID 162194799
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethane
CID 175326717
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)acetamide;tert-butyl formate?
The IUPAC name of N-(azetidin-3-yl)acetamide;tert-butyl formate (CID 174943271) is N-(azetidin-3-yl)acetamide;tert-butyl formate.
What is the SMILES notation for N-(azetidin-3-yl)acetamide;tert-butyl formate?
The canonical SMILES for N-(azetidin-3-yl)acetamide;tert-butyl formate is CC(=O)NC1CNC1.CC(C)(C)OC=O.
What is the InChIKey of N-(azetidin-3-yl)acetamide;tert-butyl formate?
The InChIKey is HUUPNJYGIJNDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C5H10O2/c1-4(8)7-5-2-6-3-5;1-5(2,3)7-4-6/h5-6H,2-3H2,1H3,(H,7,8);4H,1-3H3.
What are the key properties of N-(azetidin-3-yl)acetamide;tert-butyl formate?
N-(azetidin-3-yl)acetamide;tert-butyl formate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)acetamide;tert-butyl formate is sourced from PubChem (CID 174943271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).