2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid

C14H19N3O8 — CID 19105709

IUPAC2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(N1CC(=O)OC(=O)C1)N1CC(=O)OC(=O)C1
InChIInChI=1S/C14H19N3O8/c1-2-15(4-10(18)19)3-9(16-5-11(20)24-12(21)6-16)17-7-13(22)25-14(23)8-17/h9H,2-8H2,1H3,(H,18,19)
InChIKeyOKLQNLIKFLSNSP-UHFFFAOYSA-N
MW357.32 g/mol
LogP-2.51
Rot. Bonds7

About 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid

2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid (PubChem CID 19105709) has the molecular formula C14H19N3O8 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid
PubChem CID19105709
Molecular FormulaC14H19N3O8
Molecular Weight357.32 g/mol
Exact Mass357.12
IUPAC Name2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(N1CC(=O)OC(=O)C1)N1CC(=O)OC(=O)C1
InChIInChI=1S/C14H19N3O8/c1-2-15(4-10(18)19)3-9(16-5-11(20)24-12(21)6-16)17-7-13(22)25-14(23)8-17/h9H,2-8H2,1H3,(H,18,19)
InChIKeyOKLQNLIKFLSNSP-UHFFFAOYSA-N
XLogP-2.51
TPSA133.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid?
The IUPAC name of 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid (CID 19105709) is 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid?
The canonical SMILES for 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid is CCN(CC(=O)O)CC(N1CC(=O)OC(=O)C1)N1CC(=O)OC(=O)C1.
What is the InChIKey of 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid?
The InChIKey is OKLQNLIKFLSNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O8/c1-2-15(4-10(18)19)3-9(16-5-11(20)24-12(21)6-16)17-7-13(22)25-14(23)8-17/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid?
2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid has a molecular weight of 357.32 g/mol, XLogP of -2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid is sourced from PubChem (CID 19105709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).