2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid

C12H20N2O8 — CID 594780

IUPAC2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
SMILESCOC(=O)CN(CCN(CC(=O)O)CC(=O)OC)CC(=O)O
InChIInChI=1S/C12H20N2O8/c1-21-11(19)7-13(5-9(15)16)3-4-14(6-10(17)18)8-12(20)22-2/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyABHLVHFTQWZGRH-UHFFFAOYSA-N
MW320.30 g/mol
LogP-1.89
Rot. Bonds11

About 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid

2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid (PubChem CID 594780) has the molecular formula C12H20N2O8 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
PubChem CID594780
Molecular FormulaC12H20N2O8
Molecular Weight320.30 g/mol
Exact Mass320.12
IUPAC Name2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
SMILESCOC(=O)CN(CCN(CC(=O)O)CC(=O)OC)CC(=O)O
InChIInChI=1S/C12H20N2O8/c1-21-11(19)7-13(5-9(15)16)3-4-14(6-10(17)18)8-12(20)22-2/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyABHLVHFTQWZGRH-UHFFFAOYSA-N
XLogP-1.89
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid (CID 594780) is 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid is COC(=O)CN(CCN(CC(=O)O)CC(=O)OC)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is ABHLVHFTQWZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O8/c1-21-11(19)7-13(5-9(15)16)3-4-14(6-10(17)18)8-12(20)22-2/h3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 320.30 g/mol, XLogP of -1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 594780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).