tert-butyl 2-[amino(methyl)amino]acetate

C7H16N2O2 — CID 11805056

IUPACtert-butyl 2-[amino(methyl)amino]acetate
SMILESCN(N)CC(=O)OC(C)(C)C
InChIInChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)5-9(4)8/h5,8H2,1-4H3
InChIKeyGNAZZEYMVIVFQM-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.13
Rot. Bonds2

About tert-butyl 2-[amino(methyl)amino]acetate

tert-butyl 2-[amino(methyl)amino]acetate (PubChem CID 11805056) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is tert-butyl 2-[amino(methyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[amino(methyl)amino]acetate
PubChem CID11805056
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nametert-butyl 2-[amino(methyl)amino]acetate
SMILESCN(N)CC(=O)OC(C)(C)C
InChIInChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)5-9(4)8/h5,8H2,1-4H3
InChIKeyGNAZZEYMVIVFQM-UHFFFAOYSA-N
XLogP0.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-[amino(methyl)amino]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-[carbamoyl(methyl)amino]acetate
CID 90191357
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
tert-butyl 2-[(2-aminoacetyl)-[(2-aminoacetyl)-(2-oxopropyl)amino]amino]acetate
CID 170067819
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
CID 86775203
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
CID 163286790
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[amino(methyl)amino]acetate?
The IUPAC name of tert-butyl 2-[amino(methyl)amino]acetate (CID 11805056) is tert-butyl 2-[amino(methyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[amino(methyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[amino(methyl)amino]acetate is CN(N)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[amino(methyl)amino]acetate?
The InChIKey is GNAZZEYMVIVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)5-9(4)8/h5,8H2,1-4H3.
What are the key properties of tert-butyl 2-[amino(methyl)amino]acetate?
tert-butyl 2-[amino(methyl)amino]acetate has a molecular weight of 160.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[amino(methyl)amino]acetate is sourced from PubChem (CID 11805056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).