methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate

C10H19NO2S — CID 79653709

IUPACmethyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(SC(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-7(2)14-8-4-5-10(11,6-8)9(12)13-3/h7-8H,4-6,11H2,1-3H3
InChIKeyFOYZHEIMHMOZET-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.55
Rot. Bonds3

About methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate

methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate (PubChem CID 79653709) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate
PubChem CID79653709
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(SC(C)C)C1
InChIInChI=1S/C10H19NO2S/c1-7(2)14-8-4-5-10(11,6-8)9(12)13-3/h7-8H,4-6,11H2,1-3H3
InChIKeyFOYZHEIMHMOZET-UHFFFAOYSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate (CID 79653709) is methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate is COC(=O)C1(N)CCC(SC(C)C)C1.
What is the InChIKey of methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate?
The InChIKey is FOYZHEIMHMOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)14-8-4-5-10(11,6-8)9(12)13-3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate?
methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-propan-2-ylsulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79653709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).