2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid

C10H14N2O7 — CID 2784766

IUPAC2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)O
InChIInChI=1S/C10H14N2O7/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)19-10(18)6-12/h1-6H2,(H,13,14)(H,15,16)
InChIKeyXKZJHMYMBVDBRU-UHFFFAOYSA-N
MW274.23 g/mol
LogP-2.16
Rot. Bonds7

About 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid

2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid (PubChem CID 2784766) has the molecular formula C10H14N2O7 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
PubChem CID2784766
Molecular FormulaC10H14N2O7
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)O
InChIInChI=1S/C10H14N2O7/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)19-10(18)6-12/h1-6H2,(H,13,14)(H,15,16)
InChIKeyXKZJHMYMBVDBRU-UHFFFAOYSA-N
XLogP-2.16
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid (CID 2784766) is 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid is O=C(O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
The InChIKey is XKZJHMYMBVDBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O7/c13-7(14)3-11(4-8(15)16)1-2-12-5-9(17)19-10(18)6-12/h1-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid has a molecular weight of 274.23 g/mol, XLogP of -2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 2784766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).