3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid

C10H16N2O5S — CID 81408035

IUPAC3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccco1
InChIInChI=1S/C10H16N2O5S/c1-8(9-4-3-7-17-9)11-18(15,16)12(2)6-5-10(13)14/h3-4,7-8,11H,5-6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyGNMJDARYDFYRCT-QMMMGPOBSA-N
MW276.31 g/mol
LogP0.58
Rot. Bonds7

About 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid

3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid (PubChem CID 81408035) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
PubChem CID81408035
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid
SMILESC[C@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccco1
InChIInChI=1S/C10H16N2O5S/c1-8(9-4-3-7-17-9)11-18(15,16)12(2)6-5-10(13)14/h3-4,7-8,11H,5-6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyGNMJDARYDFYRCT-QMMMGPOBSA-N
XLogP0.58
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-yl)ethylsulfamoyl]propanoic acid
CID 43535671
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
CID 81404403
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216587
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid (CID 81408035) is 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid is C[C@H](NS(=O)(=O)N(C)CCC(=O)O)c1ccco1.
What is the InChIKey of 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid?
The InChIKey is GNMJDARYDFYRCT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-8(9-4-3-7-17-9)11-18(15,16)12(2)6-5-10(13)14/h3-4,7-8,11H,5-6H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid?
3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid has a molecular weight of 276.31 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 81408035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).