2-[[carboxy(methyl)amino]methylamino]acetic acid

C5H10N2O4 — CID 56995273

IUPAC2-[[carboxy(methyl)amino]methylamino]acetic acid
SMILESCN(CNCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-7(5(10)11)3-6-2-4(8)9/h6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyKQHLSIWPVSTYCK-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.77
Rot. Bonds4

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

2-[[carboxy(methyl)amino]methylamino]acetic acid (PubChem CID 56995273) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-[[carboxy(methyl)amino]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[carboxy(methyl)amino]methylamino]acetic acid
PubChem CID56995273
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name2-[[carboxy(methyl)amino]methylamino]acetic acid
SMILESCN(CNCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-7(5(10)11)3-6-2-4(8)9/h6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyKQHLSIWPVSTYCK-UHFFFAOYSA-N
XLogP-0.77
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[carboxy(methyl)amino]methylamino]acetic acid?
The IUPAC name of 2-[[carboxy(methyl)amino]methylamino]acetic acid (CID 56995273) is 2-[[carboxy(methyl)amino]methylamino]acetic acid.
What is the SMILES notation for 2-[[carboxy(methyl)amino]methylamino]acetic acid?
The canonical SMILES for 2-[[carboxy(methyl)amino]methylamino]acetic acid is CN(CNCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[carboxy(methyl)amino]methylamino]acetic acid?
The InChIKey is KQHLSIWPVSTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-7(5(10)11)3-6-2-4(8)9/h6H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[[carboxy(methyl)amino]methylamino]acetic acid?
2-[[carboxy(methyl)amino]methylamino]acetic acid has a molecular weight of 162.15 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[carboxy(methyl)amino]methylamino]acetic acid is sourced from PubChem (CID 56995273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).