2-amino-3-methyl-N-(2-oxopropyl)butanamide

C8H16N2O2 — CID 91601367

IUPAC2-amino-3-methyl-N-(2-oxopropyl)butanamide
SMILESCC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)7(9)8(12)10-4-6(3)11/h5,7H,4,9H2,1-3H3,(H,10,12)
InChIKeyMESVACZRAXFKLK-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.33
Rot. Bonds4

About 2-amino-3-methyl-N-(2-oxopropyl)butanamide

2-amino-3-methyl-N-(2-oxopropyl)butanamide (PubChem CID 91601367) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxopropyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxopropyl)butanamide
PubChem CID91601367
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-3-methyl-N-(2-oxopropyl)butanamide
SMILESCC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)7(9)8(12)10-4-6(3)11/h5,7H,4,9H2,1-3H3,(H,10,12)
InChIKeyMESVACZRAXFKLK-UHFFFAOYSA-N
XLogP-0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)butanamide (CID 91601367) is 2-amino-3-methyl-N-(2-oxopropyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxopropyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxopropyl)butanamide is CC(=O)CNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(2-oxopropyl)butanamide?
The InChIKey is MESVACZRAXFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)7(9)8(12)10-4-6(3)11/h5,7H,4,9H2,1-3H3,(H,10,12).
What are the key properties of 2-amino-3-methyl-N-(2-oxopropyl)butanamide?
2-amino-3-methyl-N-(2-oxopropyl)butanamide has a molecular weight of 172.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-oxopropyl)butanamide is sourced from PubChem (CID 91601367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).