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

C9H18N2O2 — CID 90751704

IUPAC2-amino-3-methyl-N-(2-oxobutyl)butanamide
SMILESCCC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-7(12)5-11-9(13)8(10)6(2)3/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyNKBKAMFVKSKYNL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds5

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

2-amino-3-methyl-N-(2-oxobutyl)butanamide (PubChem CID 90751704) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxobutyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxobutyl)butanamide
PubChem CID90751704
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-methyl-N-(2-oxobutyl)butanamide
SMILESCCC(=O)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H18N2O2/c1-4-7(12)5-11-9(13)8(10)6(2)3/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyNKBKAMFVKSKYNL-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.06
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-oxobutyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-oxobutyl)butanamide (CID 90751704) is 2-amino-3-methyl-N-(2-oxobutyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxobutyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxobutyl)butanamide is CCC(=O)CNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(2-oxobutyl)butanamide?
The InChIKey is NKBKAMFVKSKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-7(12)5-11-9(13)8(10)6(2)3/h6,8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-3-methyl-N-(2-oxobutyl)butanamide?
2-amino-3-methyl-N-(2-oxobutyl)butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.06, 5 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-oxobutyl)butanamide is sourced from PubChem (CID 90751704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).