4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide

C10H16N2O2S — CID 118271736

IUPAC4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
SMILESNCCC(O)C(=O)NCCc1cccs1
InChIInChI=1S/C10H16N2O2S/c11-5-3-9(13)10(14)12-6-4-8-2-1-7-15-8/h1-2,7,9,13H,3-6,11H2,(H,12,14)
InChIKeyQYXVKAXWDWGCBF-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.12
Rot. Bonds6

About 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide

4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 118271736) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID118271736
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
SMILESNCCC(O)C(=O)NCCc1cccs1
InChIInChI=1S/C10H16N2O2S/c11-5-3-9(13)10(14)12-6-4-8-2-1-7-15-8/h1-2,7,9,13H,3-6,11H2,(H,12,14)
InChIKeyQYXVKAXWDWGCBF-UHFFFAOYSA-N
XLogP0.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide (CID 118271736) is 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide is NCCC(O)C(=O)NCCc1cccs1.
What is the InChIKey of 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is QYXVKAXWDWGCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-5-3-9(13)10(14)12-6-4-8-2-1-7-15-8/h1-2,7,9,13H,3-6,11H2,(H,12,14).
What are the key properties of 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide?
4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 228.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxy-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 118271736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).