azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid

C11H30N6O11 — CID 173083279

IUPACazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
SMILESN.N.N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C(O)O
InChIInChI=1S/C10H16N2O8.CH2O3.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1(3)4;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);(H2,2,3,4);4*1H3
InChIKeyJAALUWRAPDZSNH-UHFFFAOYSA-N
MW422.39 g/mol
LogP-1.20
Rot. Bonds11

About azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid (PubChem CID 173083279) has the molecular formula C11H30N6O11 and a molecular weight of 422.39 g/mol. Its IUPAC name is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid.

Molecular Properties

Compound Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
PubChem CID173083279
Molecular FormulaC11H30N6O11
Molecular Weight422.39 g/mol
Exact Mass422.20
IUPAC Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
SMILESN.N.N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C(O)O
InChIInChI=1S/C10H16N2O8.CH2O3.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1(3)4;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);(H2,2,3,4);4*1H3
InChIKeyJAALUWRAPDZSNH-UHFFFAOYSA-N
XLogP-1.20
TPSA353.21 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500422.39
LogP ≤ 5-1.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

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Related Compounds

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
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
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126

Frequently Asked Questions

What is the IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid?
The IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid (CID 173083279) is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid.
What is the SMILES notation for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid?
The canonical SMILES for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid is N.N.N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=C(O)O.
What is the InChIKey of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid?
The InChIKey is JAALUWRAPDZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.CH2O3.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2-1(3)4;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);(H2,2,3,4);4*1H3.
What are the key properties of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid?
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid has a molecular weight of 422.39 g/mol, XLogP of -1.20, 11 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid is sourced from PubChem (CID 173083279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).