methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate

C10H19NO5S — CID 106125364

IUPACmethyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H19NO5S/c1-7(10(13)16-2)17(14,15)11-6-8-3-4-9(12)5-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVZZXWNAQKBSUEM-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.37
Rot. Bonds5

About methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate

methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate (PubChem CID 106125364) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
PubChem CID106125364
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H19NO5S/c1-7(10(13)16-2)17(14,15)11-6-8-3-4-9(12)5-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVZZXWNAQKBSUEM-UHFFFAOYSA-N
XLogP-0.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103270312
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
N-[(3-hydroxycyclopentyl)methyl]cyclopentanesulfonamide
CID 103270191
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114147014
3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106121090

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate (CID 106125364) is methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
The InChIKey is VZZXWNAQKBSUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-7(10(13)16-2)17(14,15)11-6-8-3-4-9(12)5-8/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate?
methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate has a molecular weight of 265.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate is sourced from PubChem (CID 106125364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).