tert-butyl 2-[2-(methylamino)ethylamino]acetate

C9H20N2O2 — CID 59921864

IUPACtert-butyl 2-[2-(methylamino)ethylamino]acetate
SMILESCNCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)7-11-6-5-10-4/h10-11H,5-7H2,1-4H3
InChIKeyFODFKAPLPSYCHW-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.14
Rot. Bonds5

About tert-butyl 2-[2-(methylamino)ethylamino]acetate

tert-butyl 2-[2-(methylamino)ethylamino]acetate (PubChem CID 59921864) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl 2-[2-(methylamino)ethylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(methylamino)ethylamino]acetate
PubChem CID59921864
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl 2-[2-(methylamino)ethylamino]acetate
SMILESCNCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)7-11-6-5-10-4/h10-11H,5-7H2,1-4H3
InChIKeyFODFKAPLPSYCHW-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
tert-butyl 2-(octylamino)acetate
CID 78913453
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(methylamino)ethylamino]acetate?
The IUPAC name of tert-butyl 2-[2-(methylamino)ethylamino]acetate (CID 59921864) is tert-butyl 2-[2-(methylamino)ethylamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(methylamino)ethylamino]acetate?
The canonical SMILES for tert-butyl 2-[2-(methylamino)ethylamino]acetate is CNCCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(methylamino)ethylamino]acetate?
The InChIKey is FODFKAPLPSYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)7-11-6-5-10-4/h10-11H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(methylamino)ethylamino]acetate?
tert-butyl 2-[2-(methylamino)ethylamino]acetate has a molecular weight of 188.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(methylamino)ethylamino]acetate is sourced from PubChem (CID 59921864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).