propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate

C9H19NO2S — CID 146692452

IUPACpropan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
SMILESCC(C)OC(=O)C(N)CSC(C)C
InChIInChI=1S/C9H19NO2S/c1-6(2)12-9(11)8(10)5-13-7(3)4/h6-8H,5,10H2,1-4H3
InChIKeyQIYZGWFPUHUPMV-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.41
Rot. Bonds5

About propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate

propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate (PubChem CID 146692452) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
PubChem CID146692452
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Namepropan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate
SMILESCC(C)OC(=O)C(N)CSC(C)C
InChIInChI=1S/C9H19NO2S/c1-6(2)12-9(11)8(10)5-13-7(3)4/h6-8H,5,10H2,1-4H3
InChIKeyQIYZGWFPUHUPMV-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate?
The IUPAC name of propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate (CID 146692452) is propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate.
What is the SMILES notation for propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate?
The canonical SMILES for propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate is CC(C)OC(=O)C(N)CSC(C)C.
What is the InChIKey of propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate?
The InChIKey is QIYZGWFPUHUPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)12-9(11)8(10)5-13-7(3)4/h6-8H,5,10H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate?
propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate has a molecular weight of 205.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-propan-2-ylsulfanylpropanoate is sourced from PubChem (CID 146692452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).