2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide

C8H16N2O2 — CID 22757149

IUPAC2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide
SMILESCC(C)CC(C=O)NC(=O)CN
InChIInChI=1S/C8H16N2O2/c1-6(2)3-7(5-11)10-8(12)4-9/h5-7H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyGDLKTUTXUHZXNE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.33
Rot. Bonds5

About 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide

2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide (PubChem CID 22757149) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide
PubChem CID22757149
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide
SMILESCC(C)CC(C=O)NC(=O)CN
InChIInChI=1S/C8H16N2O2/c1-6(2)3-7(5-11)10-8(12)4-9/h5-7H,3-4,9H2,1-2H3,(H,10,12)
InChIKeyGDLKTUTXUHZXNE-UHFFFAOYSA-N
XLogP-0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide (CID 22757149) is 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide is CC(C)CC(C=O)NC(=O)CN.
What is the InChIKey of 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide?
The InChIKey is GDLKTUTXUHZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)3-7(5-11)10-8(12)4-9/h5-7H,3-4,9H2,1-2H3,(H,10,12).
What are the key properties of 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide?
2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide is sourced from PubChem (CID 22757149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).