2-[carboxymethyl(methylamino)amino]acetic acid

C5H10N2O4 — CID 15678368

IUPAC2-[carboxymethyl(methylamino)amino]acetic acid
SMILESCNN(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H10N2O4/c1-6-7(2-4(8)9)3-5(10)11/h6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyWCAKEOCVRUAZBV-UHFFFAOYSA-N
MW162.15 g/mol
LogP-1.41
Rot. Bonds5

About 2-[carboxymethyl(methylamino)amino]acetic acid

2-[carboxymethyl(methylamino)amino]acetic acid (PubChem CID 15678368) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-[carboxymethyl(methylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(methylamino)amino]acetic acid
PubChem CID15678368
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name2-[carboxymethyl(methylamino)amino]acetic acid
SMILESCNN(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H10N2O4/c1-6-7(2-4(8)9)3-5(10)11/h6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyWCAKEOCVRUAZBV-UHFFFAOYSA-N
XLogP-1.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methylamino)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(methylamino)amino]acetic acid (CID 15678368) is 2-[carboxymethyl(methylamino)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(methylamino)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(methylamino)amino]acetic acid is CNN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(methylamino)amino]acetic acid?
The InChIKey is WCAKEOCVRUAZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-6-7(2-4(8)9)3-5(10)11/h6H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethyl(methylamino)amino]acetic acid?
2-[carboxymethyl(methylamino)amino]acetic acid has a molecular weight of 162.15 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methylamino)amino]acetic acid is sourced from PubChem (CID 15678368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).