2-[carboxymethyl(oxiran-2-yl)amino]acetic acid

C6H9NO5 — CID 87519031

IUPAC2-[carboxymethyl(oxiran-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CO1
InChIInChI=1S/C6H9NO5/c8-5(9)1-7(2-6(10)11)4-3-12-4/h4H,1-3H2,(H,8,9)(H,10,11)
InChIKeyOZWUZZBMUBQIHA-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.19
Rot. Bonds5

About 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid

2-[carboxymethyl(oxiran-2-yl)amino]acetic acid (PubChem CID 87519031) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(oxiran-2-yl)amino]acetic acid
PubChem CID87519031
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-[carboxymethyl(oxiran-2-yl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C1CO1
InChIInChI=1S/C6H9NO5/c8-5(9)1-7(2-6(10)11)4-3-12-4/h4H,1-3H2,(H,8,9)(H,10,11)
InChIKeyOZWUZZBMUBQIHA-UHFFFAOYSA-N
XLogP-1.19
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid (CID 87519031) is 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid is O=C(O)CN(CC(=O)O)C1CO1.
What is the InChIKey of 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid?
The InChIKey is OZWUZZBMUBQIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c8-5(9)1-7(2-6(10)11)4-3-12-4/h4H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid?
2-[carboxymethyl(oxiran-2-yl)amino]acetic acid has a molecular weight of 175.14 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(oxiran-2-yl)amino]acetic acid is sourced from PubChem (CID 87519031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).