2-[amino(methyl)amino]acetic acid

C3H8N2O2 — CID 11768517

IUPAC2-[amino(methyl)amino]acetic acid
SMILESCN(N)CC(=O)O
InChIInChI=1S/C3H8N2O2/c1-5(4)2-3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyRWMZLUCRSBRPTG-UHFFFAOYSA-N
MW104.11 g/mol
LogP-1.12
Rot. Bonds2

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

2-[amino(methyl)amino]acetic acid (PubChem CID 11768517) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-[amino(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[amino(methyl)amino]acetic acid
PubChem CID11768517
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Name2-[amino(methyl)amino]acetic acid
SMILESCN(N)CC(=O)O
InChIInChI=1S/C3H8N2O2/c1-5(4)2-3(6)7/h2,4H2,1H3,(H,6,7)
InChIKeyRWMZLUCRSBRPTG-UHFFFAOYSA-N
XLogP-1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-1.12
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]acetic acid?
The IUPAC name of 2-[amino(methyl)amino]acetic acid (CID 11768517) is 2-[amino(methyl)amino]acetic acid.
What is the SMILES notation for 2-[amino(methyl)amino]acetic acid?
The canonical SMILES for 2-[amino(methyl)amino]acetic acid is CN(N)CC(=O)O.
What is the InChIKey of 2-[amino(methyl)amino]acetic acid?
The InChIKey is RWMZLUCRSBRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-5(4)2-3(6)7/h2,4H2,1H3,(H,6,7).
What are the key properties of 2-[amino(methyl)amino]acetic acid?
2-[amino(methyl)amino]acetic acid has a molecular weight of 104.11 g/mol, XLogP of -1.12, 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]acetic acid is sourced from PubChem (CID 11768517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).