[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

C14H18N2O6S — CID 8700551

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(N)=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N2O6S/c1-8(13(15)17)22-14(18)9-3-6-11(21-2)12(7-9)23(19,20)16-10-4-5-10/h3,6-8,10,16H,4-5H2,1-2H3,(H2,15,17)/t8-/m1/s1
InChIKeyYIONJQLKLZHFPV-MRVPVSSYSA-N
MW342.37 g/mol
LogP0.17
Rot. Bonds7

About [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (PubChem CID 8700551) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
PubChem CID8700551
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)C(N)=O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H18N2O6S/c1-8(13(15)17)22-14(18)9-3-6-11(21-2)12(7-9)23(19,20)16-10-4-5-10/h3,6-8,10,16H,4-5H2,1-2H3,(H2,15,17)/t8-/m1/s1
InChIKeyYIONJQLKLZHFPV-MRVPVSSYSA-N
XLogP0.17
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55392531
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 51672025
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27045228
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[(2R)-1-amino-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2592042
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55405064
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55319401
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate (CID 8700551) is [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)O[C@H](C)C(N)=O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
The InChIKey is YIONJQLKLZHFPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-8(13(15)17)22-14(18)9-3-6-11(21-2)12(7-9)23(19,20)16-10-4-5-10/h3,6-8,10,16H,4-5H2,1-2H3,(H2,15,17)/t8-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate has a molecular weight of 342.37 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 8700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).