2-[(propylsulfamoylamino)methyl]butanoic acid

C8H18N2O4S — CID 114806376

IUPAC2-[(propylsulfamoylamino)methyl]butanoic acid
SMILESCCCNS(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-7(4-2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZCRSTWXECZEOEG-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.07
Rot. Bonds8

About 2-[(propylsulfamoylamino)methyl]butanoic acid

2-[(propylsulfamoylamino)methyl]butanoic acid (PubChem CID 114806376) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(propylsulfamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(propylsulfamoylamino)methyl]butanoic acid
PubChem CID114806376
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[(propylsulfamoylamino)methyl]butanoic acid
SMILESCCCNS(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-7(4-2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyZCRSTWXECZEOEG-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 114812909
2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
2-ethylpentanoic acid
CID 158993232
methyl 3-(2-propylpentylsulfamoylamino)propanoate
CID 25258362
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
2-ethylpentanoic acid
CID 30020

Frequently Asked Questions

What is the IUPAC name of 2-[(propylsulfamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(propylsulfamoylamino)methyl]butanoic acid (CID 114806376) is 2-[(propylsulfamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(propylsulfamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(propylsulfamoylamino)methyl]butanoic acid is CCCNS(=O)(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[(propylsulfamoylamino)methyl]butanoic acid?
The InChIKey is ZCRSTWXECZEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-5-9-15(13,14)10-6-7(4-2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[(propylsulfamoylamino)methyl]butanoic acid?
2-[(propylsulfamoylamino)methyl]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propylsulfamoylamino)methyl]butanoic acid is sourced from PubChem (CID 114806376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).