(2S)-2-amino-N,3-dimethylbutanamide;ethane

C8H20N2O — CID 155742491

IUPAC(2S)-2-amino-N,3-dimethylbutanamide;ethane
SMILESCC.CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O.C2H6/c1-4(2)5(7)6(9)8-3;1-2/h4-5H,7H2,1-3H3,(H,8,9);1-2H3/t5-;/m0./s1
InChIKeyLLGLTWJGYZPJHN-JEDNCBNOSA-N
MW160.26 g/mol
LogP0.74
Rot. Bonds2

About (2S)-2-amino-N,3-dimethylbutanamide;ethane

(2S)-2-amino-N,3-dimethylbutanamide;ethane (PubChem CID 155742491) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethylbutanamide;ethane.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethylbutanamide;ethane
PubChem CID155742491
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name(2S)-2-amino-N,3-dimethylbutanamide;ethane
SMILESCC.CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C6H14N2O.C2H6/c1-4(2)5(7)6(9)8-3;1-2/h4-5H,7H2,1-3H3,(H,8,9);1-2H3/t5-;/m0./s1
InChIKeyLLGLTWJGYZPJHN-JEDNCBNOSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide;ethane?
The IUPAC name of (2S)-2-amino-N,3-dimethylbutanamide;ethane (CID 155742491) is (2S)-2-amino-N,3-dimethylbutanamide;ethane.
What is the SMILES notation for (2S)-2-amino-N,3-dimethylbutanamide;ethane?
The canonical SMILES for (2S)-2-amino-N,3-dimethylbutanamide;ethane is CC.CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N,3-dimethylbutanamide;ethane?
The InChIKey is LLGLTWJGYZPJHN-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6/c1-4(2)5(7)6(9)8-3;1-2/h4-5H,7H2,1-3H3,(H,8,9);1-2H3/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N,3-dimethylbutanamide;ethane?
(2S)-2-amino-N,3-dimethylbutanamide;ethane has a molecular weight of 160.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethylbutanamide;ethane is sourced from PubChem (CID 155742491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).