methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate

C9H18N2O4S — CID 103352907

IUPACmethyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(N)CCC1
InChIInChI=1S/C9H18N2O4S/c1-7(8(12)15-2)16(13,14)11-6-9(10)4-3-5-9/h7,11H,3-6,10H2,1-2H3
InChIKeyYGBNOHIKBOEVSV-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.65
Rot. Bonds5

About methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate

methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate (PubChem CID 103352907) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
PubChem CID103352907
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(N)CCC1
InChIInChI=1S/C9H18N2O4S/c1-7(8(12)15-2)16(13,14)11-6-9(10)4-3-5-9/h7,11H,3-6,10H2,1-2H3
InChIKeyYGBNOHIKBOEVSV-UHFFFAOYSA-N
XLogP-0.65
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
methyl 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylsulfamoyl]propanoate
CID 65121253
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
CID 54951523
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate (CID 103352907) is methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC1(N)CCC1.
What is the InChIKey of methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate?
The InChIKey is YGBNOHIKBOEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(8(12)15-2)16(13,14)11-6-9(10)4-3-5-9/h7,11H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate?
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate has a molecular weight of 250.32 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate is sourced from PubChem (CID 103352907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).