methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate

C12H23NO4S — CID 80707967

IUPACmethyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H23NO4S/c1-10(2)9-18(15,16)13(8-12(14)17-3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyOYBFSASQBGZCDP-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.39
Rot. Bonds6

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

methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate (PubChem CID 80707967) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
PubChem CID80707967
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H23NO4S/c1-10(2)9-18(15,16)13(8-12(14)17-3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyOYBFSASQBGZCDP-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 115536220
methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
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N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 54983488
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
CID 80668009
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate (CID 80707967) is methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate is COC(=O)CN(C1CCCC1)S(=O)(=O)CC(C)C.
What is the InChIKey of methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate?
The InChIKey is OYBFSASQBGZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10(2)9-18(15,16)13(8-12(14)17-3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate?
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate has a molecular weight of 277.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate is sourced from PubChem (CID 80707967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).