methyl 2-[amino(propan-2-yl)amino]acetate

C6H14N2O2 — CID 11829589

IUPACmethyl 2-[amino(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(N)C(C)C
InChIInChI=1S/C6H14N2O2/c1-5(2)8(7)4-6(9)10-3/h5H,4,7H2,1-3H3
InChIKeyGBLZDSMWPZVYOX-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.26
Rot. Bonds3

About methyl 2-[amino(propan-2-yl)amino]acetate

methyl 2-[amino(propan-2-yl)amino]acetate (PubChem CID 11829589) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-[amino(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[amino(propan-2-yl)amino]acetate
PubChem CID11829589
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl 2-[amino(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(N)C(C)C
InChIInChI=1S/C6H14N2O2/c1-5(2)8(7)4-6(9)10-3/h5H,4,7H2,1-3H3
InChIKeyGBLZDSMWPZVYOX-UHFFFAOYSA-N
XLogP-0.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.26
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 methyl 2-[amino(propan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[amino(propan-2-yl)amino]acetate (CID 11829589) is methyl 2-[amino(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[amino(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[amino(propan-2-yl)amino]acetate is COC(=O)CN(N)C(C)C.
What is the InChIKey of methyl 2-[amino(propan-2-yl)amino]acetate?
The InChIKey is GBLZDSMWPZVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(2)8(7)4-6(9)10-3/h5H,4,7H2,1-3H3.
What are the key properties of methyl 2-[amino(propan-2-yl)amino]acetate?
methyl 2-[amino(propan-2-yl)amino]acetate has a molecular weight of 146.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(propan-2-yl)amino]acetate is sourced from PubChem (CID 11829589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).