3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide

C7H15NO3 — CID 20648231

IUPAC3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCC(O)C(C)C(=O)NCCO
InChIInChI=1S/C7H15NO3/c1-5(6(2)10)7(11)8-3-4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)
InChIKeyKQIYGOOBPMRELJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.89
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide

3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide (PubChem CID 20648231) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide
PubChem CID20648231
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCC(O)C(C)C(=O)NCCO
InChIInChI=1S/C7H15NO3/c1-5(6(2)10)7(11)8-3-4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11)
InChIKeyKQIYGOOBPMRELJ-UHFFFAOYSA-N
XLogP-0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide (CID 20648231) is 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide is CC(O)C(C)C(=O)NCCO.
What is the InChIKey of 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide?
The InChIKey is KQIYGOOBPMRELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(6(2)10)7(11)8-3-4-9/h5-6,9-10H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide?
3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide has a molecular weight of 161.20 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxyethyl)-2-methylbutanamide is sourced from PubChem (CID 20648231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).