(2S)-2-(thiophen-2-ylmethylamino)propanoic acid

C8H11NO2S — CID 51690905

IUPAC(2S)-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESC[C@H](NCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)9-5-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyUBJHVAACAGALPP-LURJTMIESA-N
MW185.25 g/mol
LogP1.31
Rot. Bonds4

About (2S)-2-(thiophen-2-ylmethylamino)propanoic acid

(2S)-2-(thiophen-2-ylmethylamino)propanoic acid (PubChem CID 51690905) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (2S)-2-(thiophen-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiophen-2-ylmethylamino)propanoic acid
PubChem CID51690905
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(2S)-2-(thiophen-2-ylmethylamino)propanoic acid
SMILESC[C@H](NCc1cccs1)C(=O)O
InChIInChI=1S/C8H11NO2S/c1-6(8(10)11)9-5-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyUBJHVAACAGALPP-LURJTMIESA-N
XLogP1.31
TPSA49.33 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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiophen-2-ylmethylamino)propanoic acid?
The IUPAC name of (2S)-2-(thiophen-2-ylmethylamino)propanoic acid (CID 51690905) is (2S)-2-(thiophen-2-ylmethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(thiophen-2-ylmethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(thiophen-2-ylmethylamino)propanoic acid is C[C@H](NCc1cccs1)C(=O)O.
What is the InChIKey of (2S)-2-(thiophen-2-ylmethylamino)propanoic acid?
The InChIKey is UBJHVAACAGALPP-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6(8(10)11)9-5-7-3-2-4-12-7/h2-4,6,9H,5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(thiophen-2-ylmethylamino)propanoic acid?
(2S)-2-(thiophen-2-ylmethylamino)propanoic acid has a molecular weight of 185.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiophen-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 51690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).