2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

C10H19NO6 — CID 177164366

IUPAC2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESCC(CO)(CO)C(=O)OCCOCCNC=O
InChIInChI=1S/C10H19NO6/c1-10(6-12,7-13)9(15)17-5-4-16-3-2-11-8-14/h8,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyTYBPQNIFMITOFO-UHFFFAOYSA-N
MW249.26 g/mol
LogP-1.72
Rot. Bonds10

About 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (PubChem CID 177164366) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
PubChem CID177164366
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESCC(CO)(CO)C(=O)OCCOCCNC=O
InChIInChI=1S/C10H19NO6/c1-10(6-12,7-13)9(15)17-5-4-16-3-2-11-8-14/h8,12-13H,2-7H2,1H3,(H,11,14)
InChIKeyTYBPQNIFMITOFO-UHFFFAOYSA-N
XLogP-1.72
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 58205656
[3-[3-[2-[2-[3-[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethoxy]ethoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 71310496
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
bis(2-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxyethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate);2-propanoyloxyethyl propanoate
CID 91127722
ethyl 2-(hydroxymethyl)-2-methyl-3-[2-(3-oxopropoxy)ethoxycarbonyloxy]propanoate
CID 58312472
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]formamide;ethane;2,2,4,4-tetramethylhexanoic acid
CID 171841426
2-[3-[2-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethyl 7-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-6-(hydroxymethyl)-2,6-dimethyl-5-oxoheptanoate
CID 90339409
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 163400228

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The IUPAC name of 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (CID 177164366) is 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
What is the SMILES notation for 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The canonical SMILES for 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is CC(CO)(CO)C(=O)OCCOCCNC=O.
What is the InChIKey of 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The InChIKey is TYBPQNIFMITOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-10(6-12,7-13)9(15)17-5-4-16-3-2-11-8-14/h8,12-13H,2-7H2,1H3,(H,11,14).
What are the key properties of 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate has a molecular weight of 249.26 g/mol, XLogP of -1.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is sourced from PubChem (CID 177164366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).