2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium

C9H21NO6Ti — CID 87438440

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
SMILESCC(O)C(=O)O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C6H15NO3.C3H6O3.Ti/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6;/h8-10H,1-6H2;2,4H,1H3,(H,5,6);
InChIKeyVWIHIEKRIOCFBN-UHFFFAOYSA-N
MW287.13 g/mol
LogP-2.29
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium

2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium (PubChem CID 87438440) has the molecular formula C9H21NO6Ti and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
PubChem CID87438440
Molecular FormulaC9H21NO6Ti
Molecular Weight287.13 g/mol
Exact Mass287.08
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
SMILESCC(O)C(=O)O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C6H15NO3.C3H6O3.Ti/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6;/h8-10H,1-6H2;2,4H,1H3,(H,5,6);
InChIKeyVWIHIEKRIOCFBN-UHFFFAOYSA-N
XLogP-2.29
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-hydroxypropanoic acid);titanium
CID 173417954
2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
CID 87290757
bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
CID 88709706
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
CID 173189047
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
CID 158639936
CID 158639936
2-hydroxypropanoic acid
CID 87075455
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
diazanium;2-hydroxypropanoic acid;titanium;dihydroxide
CID 175324651
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
CID 11776805
CID 11776805

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium (CID 87438440) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium is CC(O)C(=O)O.OCCN(CCO)CCO.[Ti].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium?
The InChIKey is VWIHIEKRIOCFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H6O3.Ti/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6;/h8-10H,1-6H2;2,4H,1H3,(H,5,6);.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium?
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium has a molecular weight of 287.13 g/mol, XLogP of -2.29, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium is sourced from PubChem (CID 87438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).