methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate

C9H17NO4S — CID 80707725

IUPACmethyl 2-[cyclopentyl(methylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-9(11)7-10(15(2,12)13)8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyKWWPVWMECGQMCB-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.36
Rot. Bonds4

About methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate

methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate (PubChem CID 80707725) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(methylsulfonyl)amino]acetate
PubChem CID80707725
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-[cyclopentyl(methylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-9(11)7-10(15(2,12)13)8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyKWWPVWMECGQMCB-UHFFFAOYSA-N
XLogP0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate (CID 80707725) is methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate is COC(=O)CN(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate?
The InChIKey is KWWPVWMECGQMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-9(11)7-10(15(2,12)13)8-5-3-4-6-8/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate?
methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate has a molecular weight of 235.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(methylsulfonyl)amino]acetate is sourced from PubChem (CID 80707725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).