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

C8H16N2O2 — CID 22789199

IUPAC2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@@H](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)/t7-/m0/s1
InChIKeyGDLKTUTXUHZXNE-ZETCQYMHSA-N
MW172.23 g/mol
LogP-0.33
Rot. Bonds5

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

2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide (PubChem CID 22789199) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
PubChem CID22789199
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@@H](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)/t7-/m0/s1
InChIKeyGDLKTUTXUHZXNE-ZETCQYMHSA-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-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide (CID 22789199) is 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide is CC(C)C[C@@H](C=O)NC(=O)CN.
What is the InChIKey of 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
The InChIKey is GDLKTUTXUHZXNE-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide?
2-amino-N-[(2S)-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-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 22789199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).