2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate

C11H20Cl2N2O9Ru — CID 50897255

IUPAC2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
SMILESCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl[Ru]Cl.O
InChIInChI=1S/C11H18N2O8.2ClH.H2O.Ru/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);2*1H;1H2;/q;;;;+2/p-2
InChIKeySKCJPKNANQBBFI-UHFFFAOYSA-L
MW496.26 g/mol
LogP-1.13
Rot. Bonds11

About 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate

2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate (PubChem CID 50897255) has the molecular formula C11H20Cl2N2O9Ru and a molecular weight of 496.26 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
PubChem CID50897255
Molecular FormulaC11H20Cl2N2O9Ru
Molecular Weight496.26 g/mol
Exact Mass495.96
IUPAC Name2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate
SMILESCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl[Ru]Cl.O
InChIInChI=1S/C11H18N2O8.2ClH.H2O.Ru/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);2*1H;1H2;/q;;;;+2/p-2
InChIKeySKCJPKNANQBBFI-UHFFFAOYSA-L
XLogP-1.13
TPSA187.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid
CID 88598143
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid;2-[6-[bis(carboxymethyl)amino]hexyl-(2-oxopropyl)amino]acetic acid;2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid;2-[3-[bis(carboxymethyl)amino]propyl-(2-oxopropyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl(2-oxopropyl)amino]propyl]amino]acetic acid
CID 158317113
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[[(2R)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[(2S)-2-[bis(carboxymethyl)amino]propyl]amino]acetic acid;tetrahydrochloride
CID 5487398
2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
CID 23422364
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[carboxymethyl-[2-[carboxymethyl(hexanoyl)amino]propyl]amino]acetic acid
CID 89070602
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate (CID 50897255) is 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate is CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl[Ru]Cl.O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate?
The InChIKey is SKCJPKNANQBBFI-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H18N2O8.2ClH.H2O.Ru/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17;;;;/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21);2*1H;1H2;/q;;;;+2/p-2.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate?
2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate has a molecular weight of 496.26 g/mol, XLogP of -1.13, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid;dichlororuthenium;hydrate is sourced from PubChem (CID 50897255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).