3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid

C11H17N3O4S — CID 81404403

IUPAC3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccncc1
InChIInChI=1S/C11H17N3O4S/c1-9(10-3-6-12-7-4-10)13-19(17,18)14(2)8-5-11(15)16/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeySADBNDJVNDKTJR-SECBINFHSA-N
MW287.34 g/mol
LogP0.38
Rot. Bonds7

About 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid

3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid (PubChem CID 81404403) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
PubChem CID81404403
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccncc1
InChIInChI=1S/C11H17N3O4S/c1-9(10-3-6-12-7-4-10)13-19(17,18)14(2)8-5-11(15)16/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeySADBNDJVNDKTJR-SECBINFHSA-N
XLogP0.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81408035
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]sulfamoyl-methylamino]propanoate
CID 81356656
3-[methyl-[1-(4-pyridin-4-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122004708
3-[[ethyl(pyridin-4-yl)sulfamoyl]-methylamino]propanoic acid
CID 106934719
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
3-[methyl(pyrimidin-5-ylsulfamoyl)amino]propanoic acid
CID 107587564
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid (CID 81404403) is 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid is C[C@@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccncc1.
What is the InChIKey of 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid?
The InChIKey is SADBNDJVNDKTJR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9(10-3-6-12-7-4-10)13-19(17,18)14(2)8-5-11(15)16/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid?
3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 81404403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).