4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid

C10H18N2O7S — CID 114462947

IUPAC4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O7S/c1-7(2)19-9(15)11-20(16,17)12-10(8(13)14)3-5-18-6-4-10/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCRMVOFZRWXFORM-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.41
Rot. Bonds5

About 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid

4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid (PubChem CID 114462947) has the molecular formula C10H18N2O7S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
PubChem CID114462947
Molecular FormulaC10H18N2O7S
Molecular Weight310.33 g/mol
Exact Mass310.08
IUPAC Name4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H18N2O7S/c1-7(2)19-9(15)11-20(16,17)12-10(8(13)14)3-5-18-6-4-10/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCRMVOFZRWXFORM-UHFFFAOYSA-N
XLogP-0.41
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106301452
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291944
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
propan-2-yl N-[4-(aminomethyl)oxan-4-yl]carbamate
CID 106297630

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid (CID 114462947) is 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid is CC(C)OC(=O)NS(=O)(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid?
The InChIKey is CRMVOFZRWXFORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O7S/c1-7(2)19-9(15)11-20(16,17)12-10(8(13)14)3-5-18-6-4-10/h7,12H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid?
4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 114462947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).