calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate

C10H22CaN2O10 — CID 173117550

IUPACcalcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate
SMILESO.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C10H16N2O8.Ca.2H2O.2H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H2;;/q;+2;;;2*-1
InChIKeyTUBJXVQDMADOIC-UHFFFAOYSA-N
MW370.37 g/mol
LogP-3.88
Rot. Bonds11

About calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate

calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate (PubChem CID 173117550) has the molecular formula C10H22CaN2O10 and a molecular weight of 370.37 g/mol. Its IUPAC name is calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate.

Molecular Properties

Compound Namecalcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate
PubChem CID173117550
Molecular FormulaC10H22CaN2O10
Molecular Weight370.37 g/mol
Exact Mass370.09
IUPAC Namecalcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate
SMILESO.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C10H16N2O8.Ca.2H2O.2H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H2;;/q;+2;;;2*-1
InChIKeyTUBJXVQDMADOIC-UHFFFAOYSA-N
XLogP-3.88
TPSA218.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 5-3.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
CID 173129288
magnesium;disodium;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);hydride
CID 173152374
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
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
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
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;hydride;iron
CID 173090739
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281

Frequently Asked Questions

What is the IUPAC name of calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate?
The IUPAC name of calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate (CID 173117550) is calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate.
What is the SMILES notation for calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate?
The canonical SMILES for calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate is O.O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate?
The InChIKey is TUBJXVQDMADOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.Ca.2H2O.2H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H2;;/q;+2;;;2*-1.
What are the key properties of calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate?
calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate has a molecular weight of 370.37 g/mol, XLogP of -3.88, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate is sourced from PubChem (CID 173117550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).