methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate

C10H19NO4S — CID 64906112

IUPACmethyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)C1CCC(N)C1C
InChIInChI=1S/C10H19NO4S/c1-7-8(11)3-4-9(7)16(13,14)6-5-10(12)15-2/h7-9H,3-6,11H2,1-2H3
InChIKeySBYCTCHRRDTSOO-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.09
Rot. Bonds4

About methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate

methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate (PubChem CID 64906112) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate
PubChem CID64906112
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)C1CCC(N)C1C
InChIInChI=1S/C10H19NO4S/c1-7-8(11)3-4-9(7)16(13,14)6-5-10(12)15-2/h7-9H,3-6,11H2,1-2H3
InChIKeySBYCTCHRRDTSOO-UHFFFAOYSA-N
XLogP0.09
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate?
The IUPAC name of methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate (CID 64906112) is methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate.
What is the SMILES notation for methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate?
The canonical SMILES for methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate is COC(=O)CCS(=O)(=O)C1CCC(N)C1C.
What is the InChIKey of methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate?
The InChIKey is SBYCTCHRRDTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7-8(11)3-4-9(7)16(13,14)6-5-10(12)15-2/h7-9H,3-6,11H2,1-2H3.
What are the key properties of methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate?
methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate has a molecular weight of 249.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-2-methylcyclopentyl)sulfonylpropanoate is sourced from PubChem (CID 64906112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).