3-(cyclobutylmethylsulfamoyl)propanoic acid

C8H15NO4S — CID 43298604

IUPAC3-(cyclobutylmethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C8H15NO4S/c10-8(11)4-5-14(12,13)9-6-7-2-1-3-7/h7,9H,1-6H2,(H,10,11)
InChIKeyBYJANELHVYONHO-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.18
Rot. Bonds6

About 3-(cyclobutylmethylsulfamoyl)propanoic acid

3-(cyclobutylmethylsulfamoyl)propanoic acid (PubChem CID 43298604) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(cyclobutylmethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclobutylmethylsulfamoyl)propanoic acid
PubChem CID43298604
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-(cyclobutylmethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C8H15NO4S/c10-8(11)4-5-14(12,13)9-6-7-2-1-3-7/h7,9H,1-6H2,(H,10,11)
InChIKeyBYJANELHVYONHO-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]propanoic acid
CID 60855399
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
CID 81039371
2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
3-(cyclobutylmethylsulfonyl)propanoic acid
CID 65456899
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]acetamide;hydrochloride
CID 119322955
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-diethylguanidine
CID 111111986
2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111810075
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylsulfamoyl)propanoic acid?
The IUPAC name of 3-(cyclobutylmethylsulfamoyl)propanoic acid (CID 43298604) is 3-(cyclobutylmethylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(cyclobutylmethylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(cyclobutylmethylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylsulfamoyl)propanoic acid?
The InChIKey is BYJANELHVYONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8(11)4-5-14(12,13)9-6-7-2-1-3-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-(cyclobutylmethylsulfamoyl)propanoic acid?
3-(cyclobutylmethylsulfamoyl)propanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylsulfamoyl)propanoic acid is sourced from PubChem (CID 43298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).