2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate

C8H17NO5 — CID 10013241

IUPAC2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate
SMILES[H]/N=C(\OCCO)C(CO)(CO)CCO
InChIInChI=1S/C8H17NO5/c9-7(14-4-3-11)8(5-12,6-13)1-2-10/h9-13H,1-6H2/b9-7-
InChIKeyQXJOFPAYMFDETD-CLFYSBASSA-N
MW207.23 g/mol
LogP-1.67
Rot. Bonds7

About 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate

2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate (PubChem CID 10013241) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate.

Molecular Properties

Compound Name2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate
PubChem CID10013241
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate
SMILES[H]/N=C(\OCCO)C(CO)(CO)CCO
InChIInChI=1S/C8H17NO5/c9-7(14-4-3-11)8(5-12,6-13)1-2-10/h9-13H,1-6H2/b9-7-
InChIKeyQXJOFPAYMFDETD-CLFYSBASSA-N
XLogP-1.67
TPSA114.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate?
The IUPAC name of 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate (CID 10013241) is 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate.
What is the SMILES notation for 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate?
The canonical SMILES for 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate is [H]/N=C(\OCCO)C(CO)(CO)CCO.
What is the InChIKey of 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate?
The InChIKey is QXJOFPAYMFDETD-CLFYSBASSA-N. The full InChI is InChI=1S/C8H17NO5/c9-7(14-4-3-11)8(5-12,6-13)1-2-10/h9-13H,1-6H2/b9-7-.
What are the key properties of 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate?
2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate has a molecular weight of 207.23 g/mol, XLogP of -1.67, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-hydroxy-2,2-bis(hydroxymethyl)butanimidate is sourced from PubChem (CID 10013241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).