2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C10H20N2O3 — CID 79252281

IUPAC2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)9(5-13)12-10(15)7(3)11-8(4)14/h6-7,9,13H,5H2,1-4H3,(H,11,14)(H,12,15)/t7?,9-/m1/s1
InChIKeyUIMZBIJEYIXCPN-NHSZFOGYSA-N
MW216.28 g/mol
LogP-0.36
Rot. Bonds5

About 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 79252281) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID79252281
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)9(5-13)12-10(15)7(3)11-8(4)14/h6-7,9,13H,5H2,1-4H3,(H,11,14)(H,12,15)/t7?,9-/m1/s1
InChIKeyUIMZBIJEYIXCPN-NHSZFOGYSA-N
XLogP-0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 79252281) is 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is CC(=O)NC(C)C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is UIMZBIJEYIXCPN-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)9(5-13)12-10(15)7(3)11-8(4)14/h6-7,9,13H,5H2,1-4H3,(H,11,14)(H,12,15)/t7?,9-/m1/s1.
What are the key properties of 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 216.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 79252281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).