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

C10H24N4O11S2 — CID 173369084

IUPACazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
SMILESN.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=S(O)(O)=S
InChIInChI=1S/C10H16N2O8.2H3N.H2O3S2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3;(H2,1,2,3,4)
InChIKeyMSUWTGILHIOBLY-UHFFFAOYSA-N
MW440.45 g/mol
LogP-2.07
Rot. Bonds11

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

azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid (PubChem CID 173369084) has the molecular formula C10H24N4O11S2 and a molecular weight of 440.45 g/mol. Its IUPAC name is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid.

Molecular Properties

Compound Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
PubChem CID173369084
Molecular FormulaC10H24N4O11S2
Molecular Weight440.45 g/mol
Exact Mass440.09
IUPAC Nameazane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
SMILESN.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=S(O)(O)=S
InChIInChI=1S/C10H16N2O8.2H3N.H2O3S2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3;(H2,1,2,3,4)
InChIKeyMSUWTGILHIOBLY-UHFFFAOYSA-N
XLogP-2.07
TPSA283.21 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 5-2.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
CID 21418741
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
disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 159102404
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;carbonic acid
CID 173083279
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 173118164
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methylsulfonylmethane
CID 12001108
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
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

Frequently Asked Questions

What is the IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid?
The IUPAC name of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid (CID 173369084) is azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid.
What is the SMILES notation for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid?
The canonical SMILES for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid is N.N.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=S(O)(O)=S.
What is the InChIKey of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid?
The InChIKey is MSUWTGILHIOBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.2H3N.H2O3S2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;1-5(2,3)4/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3;(H2,1,2,3,4).
What are the key properties of azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid?
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid has a molecular weight of 440.45 g/mol, XLogP of -2.07, 11 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid is sourced from PubChem (CID 173369084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).