(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid

C7H9NO3S — CID 54412027

IUPAC(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid
SMILESO=C(O)[C@H](CO)Nc1cccs1
InChIInChI=1S/C7H9NO3S/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1
InChIKeyVUUSTLFFRIFAIC-YFKPBYRVSA-N
MW187.22 g/mol
LogP0.61
Rot. Bonds4

About (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid

(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid (PubChem CID 54412027) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid
PubChem CID54412027
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid
SMILESO=C(O)[C@H](CO)Nc1cccs1
InChIInChI=1S/C7H9NO3S/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1
InChIKeyVUUSTLFFRIFAIC-YFKPBYRVSA-N
XLogP0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid (CID 54412027) is (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid is O=C(O)[C@H](CO)Nc1cccs1.
What is the InChIKey of (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid?
The InChIKey is VUUSTLFFRIFAIC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-4-5(7(10)11)8-6-2-1-3-12-6/h1-3,5,8-9H,4H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid?
(2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(thiophen-2-ylamino)propanoic acid is sourced from PubChem (CID 54412027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).