tert-butyl 2-(azetidin-3-ylmethylamino)acetate

C10H20N2O2 — CID 54262655

IUPACtert-butyl 2-(azetidin-3-ylmethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC1CNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)7-12-6-8-4-11-5-8/h8,11-12H,4-7H2,1-3H3
InChIKeyREPCXHOBHXHEPF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds4

About tert-butyl 2-(azetidin-3-ylmethylamino)acetate

tert-butyl 2-(azetidin-3-ylmethylamino)acetate (PubChem CID 54262655) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 2-(azetidin-3-ylmethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(azetidin-3-ylmethylamino)acetate
PubChem CID54262655
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl 2-(azetidin-3-ylmethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC1CNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)7-12-6-8-4-11-5-8/h8,11-12H,4-7H2,1-3H3
InChIKeyREPCXHOBHXHEPF-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(azetidin-3-ylmethylamino)acetate 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

tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
tert-butyl 2-(2-cyclohexylethylamino)acetate
CID 60920745
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl 2-(cyanomethylamino)acetate
CID 91827792
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523
tert-butyl 2-formamidoacetate
CID 11469223
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(azetidin-3-ylmethylamino)acetate?
The IUPAC name of tert-butyl 2-(azetidin-3-ylmethylamino)acetate (CID 54262655) is tert-butyl 2-(azetidin-3-ylmethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(azetidin-3-ylmethylamino)acetate?
The canonical SMILES for tert-butyl 2-(azetidin-3-ylmethylamino)acetate is CC(C)(C)OC(=O)CNCC1CNC1.
What is the InChIKey of tert-butyl 2-(azetidin-3-ylmethylamino)acetate?
The InChIKey is REPCXHOBHXHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)7-12-6-8-4-11-5-8/h8,11-12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(azetidin-3-ylmethylamino)acetate?
tert-butyl 2-(azetidin-3-ylmethylamino)acetate has a molecular weight of 200.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(azetidin-3-ylmethylamino)acetate is sourced from PubChem (CID 54262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).