ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate

C9H18N2O4S — CID 61459369

IUPACethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)3-4-16(13,14)11-8-5-7(10)6-8/h7-8,11H,2-6,10H2,1H3
InChIKeyQVWHKBXWRCBGHM-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.65
Rot. Bonds6

About ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate

ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate (PubChem CID 61459369) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
PubChem CID61459369
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)3-4-16(13,14)11-8-5-7(10)6-8/h7-8,11H,2-6,10H2,1H3
InChIKeyQVWHKBXWRCBGHM-UHFFFAOYSA-N
XLogP-0.65
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
CID 54951423
N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
ethyl 3-[(3-hydroxycyclopentyl)methylsulfamoyl]propanoate
CID 103270353
ethyl 3-(4-aminocyclohexyl)sulfonylpropanoate
CID 134086046
ethyl 3-[3-(cyclopropylamino)propylsulfamoyl]propanoate
CID 54951121
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate (CID 61459369) is ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NC1CC(N)C1.
What is the InChIKey of ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate?
The InChIKey is QVWHKBXWRCBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-15-9(12)3-4-16(13,14)11-8-5-7(10)6-8/h7-8,11H,2-6,10H2,1H3.
What are the key properties of ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate?
ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate has a molecular weight of 250.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate is sourced from PubChem (CID 61459369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).