2-aminobutanoic acid;ethane

C6H15NO2 — CID 90764297

IUPAC2-aminobutanoic acid;ethane
SMILESCC.CCC(N)C(=O)O
InChIInChI=1S/C4H9NO2.C2H6/c1-2-3(5)4(6)7;1-2/h3H,2,5H2,1H3,(H,6,7);1-2H3
InChIKeyZYRUOGLEZKUAEI-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.83
Rot. Bonds2

About 2-aminobutanoic acid;ethane

2-aminobutanoic acid;ethane (PubChem CID 90764297) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-aminobutanoic acid;ethane.

Molecular Properties

Compound Name2-aminobutanoic acid;ethane
PubChem CID90764297
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-aminobutanoic acid;ethane
SMILESCC.CCC(N)C(=O)O
InChIInChI=1S/C4H9NO2.C2H6/c1-2-3(5)4(6)7;1-2/h3H,2,5H2,1H3,(H,6,7);1-2H3
InChIKeyZYRUOGLEZKUAEI-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55291456
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CID 57469863
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CID 45082341
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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoic acid;ethane?
The IUPAC name of 2-aminobutanoic acid;ethane (CID 90764297) is 2-aminobutanoic acid;ethane.
What is the SMILES notation for 2-aminobutanoic acid;ethane?
The canonical SMILES for 2-aminobutanoic acid;ethane is CC.CCC(N)C(=O)O.
What is the InChIKey of 2-aminobutanoic acid;ethane?
The InChIKey is ZYRUOGLEZKUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6/c1-2-3(5)4(6)7;1-2/h3H,2,5H2,1H3,(H,6,7);1-2H3.
What are the key properties of 2-aminobutanoic acid;ethane?
2-aminobutanoic acid;ethane has a molecular weight of 133.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoic acid;ethane is sourced from PubChem (CID 90764297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).