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

C9H26N6O8 — CID 173034412

IUPACazane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
SMILESN.N.N.N.O=C(O)CN(CC(=O)O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14N2O8.4H3N/c12-6(13)1-10(2-7(14)15)5-11(3-8(16)17)4-9(18)19;;;;/h1-5H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);4*1H3
InChIKeyFYANJEFKPDBAPM-UHFFFAOYSA-N
MW346.34 g/mol
LogP-1.47
Rot. Bonds10

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

azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid (PubChem CID 173034412) has the molecular formula C9H26N6O8 and a molecular weight of 346.34 g/mol. Its IUPAC name is azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Nameazane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
PubChem CID173034412
Molecular FormulaC9H26N6O8
Molecular Weight346.34 g/mol
Exact Mass346.18
IUPAC Nameazane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
SMILESN.N.N.N.O=C(O)CN(CC(=O)O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14N2O8.4H3N/c12-6(13)1-10(2-7(14)15)5-11(3-8(16)17)4-9(18)19;;;;/h1-5H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);4*1H3
InChIKeyFYANJEFKPDBAPM-UHFFFAOYSA-N
XLogP-1.47
TPSA295.68 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 5-1.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 162336121
CID 162336121
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
CID 23617736
CID 23617736
CID 160559897
CID 160559897
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[[[bis(carboxymethyl)amino]methyl-(3,3-dimethyl-2-oxobutyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 89143910

Frequently Asked Questions

What is the IUPAC name of azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid (CID 173034412) is azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid is N.N.N.N.O=C(O)CN(CC(=O)O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid?
The InChIKey is FYANJEFKPDBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O8.4H3N/c12-6(13)1-10(2-7(14)15)5-11(3-8(16)17)4-9(18)19;;;;/h1-5H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19);4*1H3.
What are the key properties of azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid?
azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid has a molecular weight of 346.34 g/mol, XLogP of -1.47, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 173034412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).