methyl 2-[amino(methyl)amino]propanoate

C5H12N2O2 — CID 20676051

IUPACmethyl 2-[amino(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)N
InChIInChI=1S/C5H12N2O2/c1-4(7(2)6)5(8)9-3/h4H,6H2,1-3H3
InChIKeyJXEQILXTVGONFR-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.65
Rot. Bonds2

About methyl 2-[amino(methyl)amino]propanoate

methyl 2-[amino(methyl)amino]propanoate (PubChem CID 20676051) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-[amino(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[amino(methyl)amino]propanoate
PubChem CID20676051
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namemethyl 2-[amino(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)N
InChIInChI=1S/C5H12N2O2/c1-4(7(2)6)5(8)9-3/h4H,6H2,1-3H3
InChIKeyJXEQILXTVGONFR-UHFFFAOYSA-N
XLogP-0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.65
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(methyl)amino]propanoate?
The IUPAC name of methyl 2-[amino(methyl)amino]propanoate (CID 20676051) is methyl 2-[amino(methyl)amino]propanoate.
What is the SMILES notation for methyl 2-[amino(methyl)amino]propanoate?
The canonical SMILES for methyl 2-[amino(methyl)amino]propanoate is COC(=O)C(C)N(C)N.
What is the InChIKey of methyl 2-[amino(methyl)amino]propanoate?
The InChIKey is JXEQILXTVGONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(7(2)6)5(8)9-3/h4H,6H2,1-3H3.
What are the key properties of methyl 2-[amino(methyl)amino]propanoate?
methyl 2-[amino(methyl)amino]propanoate has a molecular weight of 132.16 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(methyl)amino]propanoate is sourced from PubChem (CID 20676051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).