2-aminobutanoic acid;sulfane

C4H11NO2S — CID 162128083

IUPAC2-aminobutanoic acid;sulfane
SMILESCCC(N)C(=O)O.S
InChIInChI=1S/C4H9NO2.H2S/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H2
InChIKeyNFERFXVKUNWJQL-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.08
Rot. Bonds2

About 2-aminobutanoic acid;sulfane

2-aminobutanoic acid;sulfane (PubChem CID 162128083) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-aminobutanoic acid;sulfane.

Molecular Properties

Compound Name2-aminobutanoic acid;sulfane
PubChem CID162128083
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-aminobutanoic acid;sulfane
SMILESCCC(N)C(=O)O.S
InChIInChI=1S/C4H9NO2.H2S/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H2
InChIKeyNFERFXVKUNWJQL-UHFFFAOYSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoic acid;sulfane?
The IUPAC name of 2-aminobutanoic acid;sulfane (CID 162128083) is 2-aminobutanoic acid;sulfane.
What is the SMILES notation for 2-aminobutanoic acid;sulfane?
The canonical SMILES for 2-aminobutanoic acid;sulfane is CCC(N)C(=O)O.S.
What is the InChIKey of 2-aminobutanoic acid;sulfane?
The InChIKey is NFERFXVKUNWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.H2S/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H2.
What are the key properties of 2-aminobutanoic acid;sulfane?
2-aminobutanoic acid;sulfane has a molecular weight of 137.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoic acid;sulfane is sourced from PubChem (CID 162128083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).