2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten

C8H15NO5W — CID 169191964

IUPAC2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
SMILESCC(C)(OC(=O)CNCCO)C(=O)O.[W]
InChIInChI=1S/C8H15NO5.W/c1-8(2,7(12)13)14-6(11)5-9-3-4-10;/h9-10H,3-5H2,1-2H3,(H,12,13);
InChIKeyITSKNEHGDSMVLE-UHFFFAOYSA-N
MW389.05 g/mol
LogP-1.03
Rot. Bonds6

About 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten

2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten (PubChem CID 169191964) has the molecular formula C8H15NO5W and a molecular weight of 389.05 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
PubChem CID169191964
Molecular FormulaC8H15NO5W
Molecular Weight389.05 g/mol
Exact Mass389.05
IUPAC Name2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
SMILESCC(C)(OC(=O)CNCCO)C(=O)O.[W]
InChIInChI=1S/C8H15NO5.W/c1-8(2,7(12)13)14-6(11)5-9-3-4-10;/h9-10H,3-5H2,1-2H3,(H,12,13);
InChIKeyITSKNEHGDSMVLE-UHFFFAOYSA-N
XLogP-1.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
CID 169192087
bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
CID 173435431
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
tert-butyl 2-(octylamino)acetate
CID 78913453
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten?
The IUPAC name of 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten (CID 169191964) is 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten is CC(C)(OC(=O)CNCCO)C(=O)O.[W].
What is the InChIKey of 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten?
The InChIKey is ITSKNEHGDSMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5.W/c1-8(2,7(12)13)14-6(11)5-9-3-4-10;/h9-10H,3-5H2,1-2H3,(H,12,13);.
What are the key properties of 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten?
2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten has a molecular weight of 389.05 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten is sourced from PubChem (CID 169191964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).