methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate

C9H17NO5S — CID 115455438

IUPACmethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO5S/c1-7(8(12)15-2)16(13,14)10-5-9(6-11)3-4-9/h7,10-11H,3-6H2,1-2H3
InChIKeyLYZGBDPIKWMCRS-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.76
Rot. Bonds6

About methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate

methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate (PubChem CID 115455438) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
PubChem CID115455438
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO5S/c1-7(8(12)15-2)16(13,14)10-5-9(6-11)3-4-9/h7,10-11H,3-6H2,1-2H3
InChIKeyLYZGBDPIKWMCRS-UHFFFAOYSA-N
XLogP-0.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
methyl 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylsulfamoyl]propanoate
CID 65121253
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
CID 81065444
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354
methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
CID 54951523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate (CID 115455438) is methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC1(CO)CC1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate?
The InChIKey is LYZGBDPIKWMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-7(8(12)15-2)16(13,14)10-5-9(6-11)3-4-9/h7,10-11H,3-6H2,1-2H3.
What are the key properties of methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate?
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate has a molecular weight of 251.30 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate is sourced from PubChem (CID 115455438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).