2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid

C12H19NO7S — CID 103343407

IUPAC2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C1COCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H19NO7S/c1-19-12(16)9-7-20-6-5-13(9)21(17,18)10-4-2-3-8(10)11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyQWHZJBDLKXHPKV-UHFFFAOYSA-N
MW321.35 g/mol
LogP-0.56
Rot. Bonds4

About 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid

2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103343407) has the molecular formula C12H19NO7S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103343407
Molecular FormulaC12H19NO7S
Molecular Weight321.35 g/mol
Exact Mass321.09
IUPAC Name2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCOC(=O)C1COCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H19NO7S/c1-19-12(16)9-7-20-6-5-13(9)21(17,18)10-4-2-3-8(10)11(14)15/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyQWHZJBDLKXHPKV-UHFFFAOYSA-N
XLogP-0.56
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342838
methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
CID 115672140
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
CID 115672123
methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
CID 114811644
methyl 2-(3,3-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylate
CID 103342782
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103343407) is 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid is COC(=O)C1COCCN1S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is QWHZJBDLKXHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7S/c1-19-12(16)9-7-20-6-5-13(9)21(17,18)10-4-2-3-8(10)11(14)15/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).