2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

C12H20N2O9 — CID 13540

IUPAC2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeySLVOVFVZZFUEAS-UHFFFAOYSA-N
MW336.30 g/mol
LogP-2.05
Rot. Bonds14

About 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid

2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 13540) has the molecular formula C12H20N2O9 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID13540
Molecular FormulaC12H20N2O9
Molecular Weight336.30 g/mol
Exact Mass336.12
IUPAC Name2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeySLVOVFVZZFUEAS-UHFFFAOYSA-N
XLogP-2.05
TPSA164.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Egta
CID 6207
Glycine, N,N-diethyl-, ethyl ester
CID 75843
N,N'-Dicarboxymethyldiaza-18-crown-6
CID 658431
Cadmium, bis(N,N-bis(carboxymethyl)glycinato(3-))tri-
CID 76871832
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Egta disodium
CID 35848
ethylene glycol-bis(beta-aminoethyl ether)-n,n,n',n'-tetraacetic acid tetrasodium salt
CID 16219327
Ethanol, 2,2'-((2-hydroxyethyl)imino)bis-, 1,1'-diacetate
CID 103042
EDTA N,N'-dimethyl ester
CID 594780
Methyl 2-[bis(2-methoxyethyl)amino]acetate
CID 47010756
Ethylene glycol bis(2-aminoethyl)tetraacetate
CID 5461084
2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-(2-oxo-2-propoxyethyl)amino]ethyl]amino]acetic acid
CID 44336044

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (CID 13540) is 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is O=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is SLVOVFVZZFUEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 336.30 g/mol, XLogP of -2.05, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 13540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).