3-amino-2-(thiolan-3-yl)propanoic acid

C7H13NO2S — CID 82653675

IUPAC3-amino-2-(thiolan-3-yl)propanoic acid
SMILESNCC(C(=O)O)C1CCSC1
InChIInChI=1S/C7H13NO2S/c8-3-6(7(9)10)5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKeySHHIUXJGIVOXSF-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.40
Rot. Bonds3

About 3-amino-2-(thiolan-3-yl)propanoic acid

3-amino-2-(thiolan-3-yl)propanoic acid (PubChem CID 82653675) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-amino-2-(thiolan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(thiolan-3-yl)propanoic acid
PubChem CID82653675
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-amino-2-(thiolan-3-yl)propanoic acid
SMILESNCC(C(=O)O)C1CCSC1
InChIInChI=1S/C7H13NO2S/c8-3-6(7(9)10)5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKeySHHIUXJGIVOXSF-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(thiolan-3-yl)propanoic acid?
The IUPAC name of 3-amino-2-(thiolan-3-yl)propanoic acid (CID 82653675) is 3-amino-2-(thiolan-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(thiolan-3-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(thiolan-3-yl)propanoic acid is NCC(C(=O)O)C1CCSC1.
What is the InChIKey of 3-amino-2-(thiolan-3-yl)propanoic acid?
The InChIKey is SHHIUXJGIVOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c8-3-6(7(9)10)5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10).
What are the key properties of 3-amino-2-(thiolan-3-yl)propanoic acid?
3-amino-2-(thiolan-3-yl)propanoic acid has a molecular weight of 175.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(thiolan-3-yl)propanoic acid is sourced from PubChem (CID 82653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).