methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate

C9H18N2O6S — CID 15014351

IUPACmethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
InChIKeyGNCCTDKUYQRHGJ-LURJTMIESA-N
MW282.32 g/mol
LogP-0.09
Rot. Bonds4

About methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate (PubChem CID 15014351) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
PubChem CID15014351
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
InChIKeyGNCCTDKUYQRHGJ-LURJTMIESA-N
XLogP-0.09
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
CID 103821556
ditert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanedioate
CID 155093571
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;trifluoromethylcyclohexane
CID 156835510
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
tert-butyl (2R)-2-(dimethylsulfamoylamino)propanoate
CID 81005555

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate (CID 15014351) is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate is COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate?
The InChIKey is GNCCTDKUYQRHGJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate?
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate has a molecular weight of 282.32 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate is sourced from PubChem (CID 15014351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).