2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid

C8H15NO2S — CID 63916293

IUPAC2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid
SMILESCCSCC(N)(C(=O)O)C1CC1
InChIInChI=1S/C8H15NO2S/c1-2-12-5-8(9,7(10)11)6-3-4-6/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyDWPLTYLZXCNTGN-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid

2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid (PubChem CID 63916293) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid
PubChem CID63916293
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid
SMILESCCSCC(N)(C(=O)O)C1CC1
InChIInChI=1S/C8H15NO2S/c1-2-12-5-8(9,7(10)11)6-3-4-6/h6H,2-5,9H2,1H3,(H,10,11)
InChIKeyDWPLTYLZXCNTGN-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid (CID 63916293) is 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid is CCSCC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid?
The InChIKey is DWPLTYLZXCNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-12-5-8(9,7(10)11)6-3-4-6/h6H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid?
2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid has a molecular weight of 189.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-ethylsulfanylpropanoic acid is sourced from PubChem (CID 63916293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).