methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate

C12H23NO4S — CID 113330733

IUPACmethyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H23NO4S/c1-12(2,3)18(15,16)13(9-11(14)17-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeySDPMDJOEASVKIV-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate

methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate (PubChem CID 113330733) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate
PubChem CID113330733
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H23NO4S/c1-12(2,3)18(15,16)13(9-11(14)17-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeySDPMDJOEASVKIV-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]acetate
CID 83048303
Methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
2-[Cyclopentyl(2-methoxyethylsulfonyl)amino]acetic acid
CID 55009643
2-[Cyclopentyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 55175073
2-[Tert-butylsulfonyl(cyclopentyl)amino]acetic acid
CID 55231619
2-[Cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid
CID 55260532
2-[Cyclopentyl(propylsulfonyl)amino]acetic acid
CID 60829104
2-[Butylsulfonyl(cyclopentyl)amino]acetic acid
CID 60829267
2-[Cyclopentyl(ethylsulfonyl)amino]acetic acid
CID 60829268
2-[Cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid
CID 60859941
2-[Cyclopentyl-(2-methoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61359528
2-[Cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61457091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate?
The IUPAC name of methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate (CID 113330733) is methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate.
What is the SMILES notation for methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate?
The canonical SMILES for methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate is COC(=O)CN(C1CCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate?
The InChIKey is SDPMDJOEASVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-12(2,3)18(15,16)13(9-11(14)17-4)10-7-5-6-8-10/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate?
methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate has a molecular weight of 277.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butylsulfonyl(cyclopentyl)amino]acetate is sourced from PubChem (CID 113330733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).