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

C14H25N3O8 — CID 11533365

IUPAC2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid
SMILESCCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O8/c1-2-15(3-5-16(7-11(18)19)8-12(20)21)4-6-17(9-13(22)23)10-14(24)25/h2-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyOCYSGXONRQDIPQ-UHFFFAOYSA-N
MW363.37 g/mol
LogP-1.75
Rot. Bonds15

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

2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 11533365) has the molecular formula C14H25N3O8 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID11533365
Molecular FormulaC14H25N3O8
Molecular Weight363.37 g/mol
Exact Mass363.16
IUPAC Name2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid
SMILESCCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H25N3O8/c1-2-15(3-5-16(7-11(18)19)8-12(20)21)4-6-17(9-13(22)23)10-14(24)25/h2-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyOCYSGXONRQDIPQ-UHFFFAOYSA-N
XLogP-1.75
TPSA158.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid (CID 11533365) is 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid is CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is OCYSGXONRQDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O8/c1-2-15(3-5-16(7-11(18)19)8-12(20)21)4-6-17(9-13(22)23)10-14(24)25/h2-10H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[bis(carboxymethyl)amino]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 363.37 g/mol, XLogP of -1.75, 15 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]ethyl-ethylamino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 11533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).