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

C12H19N3O10 — CID 162650940

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(C(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O10/c16-8(17)5-13(3-4-15(11(22)23)12(24)25)1-2-14(6-9(18)19)7-10(20)21/h1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyXZUQIOUHUXYLCJ-UHFFFAOYSA-N
MW365.30 g/mol
LogP-1.50
Rot. Bonds12

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

2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid (PubChem CID 162650940) has the molecular formula C12H19N3O10 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid
PubChem CID162650940
Molecular FormulaC12H19N3O10
Molecular Weight365.30 g/mol
Exact Mass365.11
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(C(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O10/c16-8(17)5-13(3-4-15(11(22)23)12(24)25)1-2-14(6-9(18)19)7-10(20)21/h1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyXZUQIOUHUXYLCJ-UHFFFAOYSA-N
XLogP-1.50
TPSA196.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
CID 131881711
CID 131881711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid (CID 162650940) is 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid?
The InChIKey is XZUQIOUHUXYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O10/c16-8(17)5-13(3-4-15(11(22)23)12(24)25)1-2-14(6-9(18)19)7-10(20)21/h1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid has a molecular weight of 365.30 g/mol, XLogP of -1.50, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(dicarboxyamino)ethyl]amino]acetic acid is sourced from PubChem (CID 162650940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).