methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate

C12H24N2O6S — CID 53315637

IUPACmethyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O6S/c1-8(2)7-9(10(15)19-6)13-21(17,18)14-11(16)20-12(3,4)5/h8-9,13H,7H2,1-6H3,(H,14,16)/t9-/m0/s1
InChIKeyZNVMWKGFULTTIK-VIFPVBQESA-N
MW324.40 g/mol
LogP0.93
Rot. Bonds6

About methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate

methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate (PubChem CID 53315637) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
PubChem CID53315637
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Namemethyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NS(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O6S/c1-8(2)7-9(10(15)19-6)13-21(17,18)14-11(16)20-12(3,4)5/h8-9,13H,7H2,1-6H3,(H,14,16)/t9-/m0/s1
InChIKeyZNVMWKGFULTTIK-VIFPVBQESA-N
XLogP0.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
CID 86641981
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
ditert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanedioate
CID 155093571
methyl 4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate
CID 88936057
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 129247710
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate (CID 53315637) is methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate is COC(=O)[C@H](CC(C)C)NS(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate?
The InChIKey is ZNVMWKGFULTTIK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-8(2)7-9(10(15)19-6)13-21(17,18)14-11(16)20-12(3,4)5/h8-9,13H,7H2,1-6H3,(H,14,16)/t9-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate?
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate has a molecular weight of 324.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate is sourced from PubChem (CID 53315637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).