2-[amino(methyl)amino]propanoic acid

C4H10N2O2 — CID 18518837

IUPAC2-[amino(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)N
InChIInChI=1S/C4H10N2O2/c1-3(4(7)8)6(2)5/h3H,5H2,1-2H3,(H,7,8)
InChIKeyKAFAAIKKIKXEJG-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.74
Rot. Bonds2

About 2-[amino(methyl)amino]propanoic acid

2-[amino(methyl)amino]propanoic acid (PubChem CID 18518837) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-[amino(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[amino(methyl)amino]propanoic acid
PubChem CID18518837
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name2-[amino(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)N
InChIInChI=1S/C4H10N2O2/c1-3(4(7)8)6(2)5/h3H,5H2,1-2H3,(H,7,8)
InChIKeyKAFAAIKKIKXEJG-UHFFFAOYSA-N
XLogP-0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[amino(methyl)amino]propanoic acid?
The IUPAC name of 2-[amino(methyl)amino]propanoic acid (CID 18518837) is 2-[amino(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[amino(methyl)amino]propanoic acid?
The canonical SMILES for 2-[amino(methyl)amino]propanoic acid is CC(C(=O)O)N(C)N.
What is the InChIKey of 2-[amino(methyl)amino]propanoic acid?
The InChIKey is KAFAAIKKIKXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-3(4(7)8)6(2)5/h3H,5H2,1-2H3,(H,7,8).
What are the key properties of 2-[amino(methyl)amino]propanoic acid?
2-[amino(methyl)amino]propanoic acid has a molecular weight of 118.14 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]propanoic acid is sourced from PubChem (CID 18518837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).