(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide

C₈H₁₂N₂O₂S — CID 87509827

About (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide

(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide (PubChem CID 87509827) has the molecular formula C₈H₁₂N₂O₂S and a molecular weight of 200.26 g/mol. Its IUPAC name is (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide.

Molecular Properties

• Compound Name: (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
• PubChem CID: 87509827
• Molecular Formula: C₈H₁₂N₂O₂S
• Molecular Weight: 200.26 g/mol
• Exact Mass: 200.06
• IUPAC Name: (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
• SMILES: N[C@@H](CC(=O)NO)Cc1ccsc1
• InChI: InChI=1S/C8H12N2O2S/c9-7(4-8(11)10-12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4,9H2,(H,10,11)/t7-/m1/s1
• InChIKey: CDZMFXYFIURMGR-SSDOTTSWSA-N
• XLogP: 0.51
• TPSA: 75.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.26
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?

The IUPAC name of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide (CID 87509827) is (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide.

What is the SMILES notation for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?

The canonical SMILES for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide is N[C@@H](CC(=O)NO)Cc1ccsc1.

What is the InChIKey of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?

The InChIKey is CDZMFXYFIURMGR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-7(4-8(11)10-12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4,9H2,(H,10,11)/t7-/m1/s1.

What are the key properties of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?

(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide has a molecular weight of 200.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide is sourced from PubChem (CID 87509827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87509827 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.