3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide

C6H13NO4 — CID 21330069

IUPAC3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C(=O)NCCO)C(O)O
InChIInChI=1S/C6H13NO4/c1-4(6(10)11)5(9)7-2-3-8/h4,6,8,10-11H,2-3H2,1H3,(H,7,9)
InChIKeyXPEHBIKFWZDETL-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.96
Rot. Bonds4

About 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide

3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 21330069) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID21330069
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(C(=O)NCCO)C(O)O
InChIInChI=1S/C6H13NO4/c1-4(6(10)11)5(9)7-2-3-8/h4,6,8,10-11H,2-3H2,1H3,(H,7,9)
InChIKeyXPEHBIKFWZDETL-UHFFFAOYSA-N
XLogP-1.96
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide (CID 21330069) is 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide is CC(C(=O)NCCO)C(O)O.
What is the InChIKey of 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is XPEHBIKFWZDETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-4(6(10)11)5(9)7-2-3-8/h4,6,8,10-11H,2-3H2,1H3,(H,7,9).
What are the key properties of 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide?
3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 163.17 g/mol, XLogP of -1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxy-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 21330069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).