2-(3-amino-2-methylthiolan-3-yl)acetic acid

C7H13NO2S — CID 82653673

IUPAC2-(3-amino-2-methylthiolan-3-yl)acetic acid
SMILESCC1SCCC1(N)CC(=O)O
InChIInChI=1S/C7H13NO2S/c1-5-7(8,2-3-11-5)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyWZZBTJPAXVJLEK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-amino-2-methylthiolan-3-yl)acetic acid

2-(3-amino-2-methylthiolan-3-yl)acetic acid (PubChem CID 82653673) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(3-amino-2-methylthiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2-methylthiolan-3-yl)acetic acid
PubChem CID82653673
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-(3-amino-2-methylthiolan-3-yl)acetic acid
SMILESCC1SCCC1(N)CC(=O)O
InChIInChI=1S/C7H13NO2S/c1-5-7(8,2-3-11-5)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeyWZZBTJPAXVJLEK-UHFFFAOYSA-N
XLogP0.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylthiolan-3-yl)acetic acid?
The IUPAC name of 2-(3-amino-2-methylthiolan-3-yl)acetic acid (CID 82653673) is 2-(3-amino-2-methylthiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-2-methylthiolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-amino-2-methylthiolan-3-yl)acetic acid is CC1SCCC1(N)CC(=O)O.
What is the InChIKey of 2-(3-amino-2-methylthiolan-3-yl)acetic acid?
The InChIKey is WZZBTJPAXVJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5-7(8,2-3-11-5)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-(3-amino-2-methylthiolan-3-yl)acetic acid?
2-(3-amino-2-methylthiolan-3-yl)acetic acid has a molecular weight of 175.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylthiolan-3-yl)acetic acid is sourced from PubChem (CID 82653673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).