methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate

C10H20N2O6S — CID 114465372

IUPACmethyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
SMILESCCOC(=O)NS(=O)(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O6S/c1-5-18-10(14)12-19(15,16)11-8(6-7(2)3)9(13)17-4/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyXICIIDSMLWMUBH-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds7

About methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate

methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate (PubChem CID 114465372) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
PubChem CID114465372
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Namemethyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
SMILESCCOC(=O)NS(=O)(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O6S/c1-5-18-10(14)12-19(15,16)11-8(6-7(2)3)9(13)17-4/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyXICIIDSMLWMUBH-UHFFFAOYSA-N
XLogP0.15
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
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
ethyl N-[(1-chloro-4-methylpentan-2-yl)sulfamoyl]carbamate
CID 114466377
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
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
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014
ethyl N-[(1-chloro-4-methylpentan-3-yl)sulfamoyl]carbamate
CID 106356437

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate (CID 114465372) is methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate is CCOC(=O)NS(=O)(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate?
The InChIKey is XICIIDSMLWMUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-5-18-10(14)12-19(15,16)11-8(6-7(2)3)9(13)17-4/h7-8,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate?
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate has a molecular weight of 296.35 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate is sourced from PubChem (CID 114465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).