2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide

C11H16N2O10 — CID 90013601

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C=O
InChIInChI=1S/C10H16N2O8.CO2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1-3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);
InChIKeyLTIZEIWFBFAWRV-UHFFFAOYSA-N
MW336.25 g/mol
LogP-2.65
Rot. Bonds11

About 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide (PubChem CID 90013601) has the molecular formula C11H16N2O10 and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide
PubChem CID90013601
Molecular FormulaC11H16N2O10
Molecular Weight336.25 g/mol
Exact Mass336.08
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C=O
InChIInChI=1S/C10H16N2O8.CO2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1-3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);
InChIKeyLTIZEIWFBFAWRV-UHFFFAOYSA-N
XLogP-2.65
TPSA189.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
CID 172753186
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide (CID 90013601) is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C=O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide?
The InChIKey is LTIZEIWFBFAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.CO2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1-3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide?
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide has a molecular weight of 336.25 g/mol, XLogP of -2.65, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbon dioxide is sourced from PubChem (CID 90013601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).