tris(2-aminoacetate);propan-2-olate;titanium(4+)

C9H19N3O7Ti — CID 138401384

IUPACtris(2-aminoacetate);propan-2-olate;titanium(4+)
SMILESCC(C)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Ti+4]
InChIInChI=1S/C3H7O.3C2H5NO2.Ti/c1-3(2)4;3*3-1-2(4)5;/h3H,1-2H3;3*1,3H2,(H,4,5);/q-1;;;;+4/p-3
InChIKeyFGNWDHMCWJNIAZ-UHFFFAOYSA-K
MW329.13 g/mol
LogP-7.16
Rot. Bonds3

About tris(2-aminoacetate);propan-2-olate;titanium(4+)

tris(2-aminoacetate);propan-2-olate;titanium(4+) (PubChem CID 138401384) has the molecular formula C9H19N3O7Ti and a molecular weight of 329.13 g/mol. Its IUPAC name is tris(2-aminoacetate);propan-2-olate;titanium(4+).

Molecular Properties

Compound Nametris(2-aminoacetate);propan-2-olate;titanium(4+)
PubChem CID138401384
Molecular FormulaC9H19N3O7Ti
Molecular Weight329.13 g/mol
Exact Mass329.07
IUPAC Nametris(2-aminoacetate);propan-2-olate;titanium(4+)
SMILESCC(C)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Ti+4]
InChIInChI=1S/C3H7O.3C2H5NO2.Ti/c1-3(2)4;3*3-1-2(4)5;/h3H,1-2H3;3*1,3H2,(H,4,5);/q-1;;;;+4/p-3
InChIKeyFGNWDHMCWJNIAZ-UHFFFAOYSA-K
XLogP-7.16
TPSA221.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 5-7.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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tris(2-aminoacetate);copper
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2-aminoacetate;rubidium(1+)
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aluminum tris(2-aminoacetate)
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tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
diazanium;propan-2-olate;acetate
CID 141066617
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
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copper;bis(2-aminoacetate);hydrate
CID 139067245

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetate);propan-2-olate;titanium(4+)?
The IUPAC name of tris(2-aminoacetate);propan-2-olate;titanium(4+) (CID 138401384) is tris(2-aminoacetate);propan-2-olate;titanium(4+).
What is the SMILES notation for tris(2-aminoacetate);propan-2-olate;titanium(4+)?
The canonical SMILES for tris(2-aminoacetate);propan-2-olate;titanium(4+) is CC(C)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Ti+4].
What is the InChIKey of tris(2-aminoacetate);propan-2-olate;titanium(4+)?
The InChIKey is FGNWDHMCWJNIAZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7O.3C2H5NO2.Ti/c1-3(2)4;3*3-1-2(4)5;/h3H,1-2H3;3*1,3H2,(H,4,5);/q-1;;;;+4/p-3.
What are the key properties of tris(2-aminoacetate);propan-2-olate;titanium(4+)?
tris(2-aminoacetate);propan-2-olate;titanium(4+) has a molecular weight of 329.13 g/mol, XLogP of -7.16, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoacetate);propan-2-olate;titanium(4+) is sourced from PubChem (CID 138401384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).