(3S)-4-amino-3-thiophen-2-ylbutanoic acid

C8H11NO2S — CID 15696512

IUPAC(3S)-4-amino-3-thiophen-2-ylbutanoic acid
SMILESNC[C@H](CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
InChIKeyQDVRXIPQICAUFK-LURJTMIESA-N
MW185.25 g/mol
LogP1.27
Rot. Bonds4

About (3S)-4-amino-3-thiophen-2-ylbutanoic acid

(3S)-4-amino-3-thiophen-2-ylbutanoic acid (PubChem CID 15696512) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (3S)-4-amino-3-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-4-amino-3-thiophen-2-ylbutanoic acid
PubChem CID15696512
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(3S)-4-amino-3-thiophen-2-ylbutanoic acid
SMILESNC[C@H](CC(=O)O)c1cccs1
InChIInChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1
InChIKeyQDVRXIPQICAUFK-LURJTMIESA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-thiophen-2-ylbutanoic acid?
The IUPAC name of (3S)-4-amino-3-thiophen-2-ylbutanoic acid (CID 15696512) is (3S)-4-amino-3-thiophen-2-ylbutanoic acid.
What is the SMILES notation for (3S)-4-amino-3-thiophen-2-ylbutanoic acid?
The canonical SMILES for (3S)-4-amino-3-thiophen-2-ylbutanoic acid is NC[C@H](CC(=O)O)c1cccs1.
What is the InChIKey of (3S)-4-amino-3-thiophen-2-ylbutanoic acid?
The InChIKey is QDVRXIPQICAUFK-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2S/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-4-amino-3-thiophen-2-ylbutanoic acid?
(3S)-4-amino-3-thiophen-2-ylbutanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 15696512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).