methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate

C13H17NO4S — CID 113257635

IUPACmethyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO4S/c1-9(13(15)18-2)14-19(16,17)12-7-6-10-4-3-5-11(10)8-12/h6-9,14H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyZSAQLUOCBVUADN-SECBINFHSA-N
MW283.35 g/mol
LogP1.02
Rot. Bonds4

About methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate

methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate (PubChem CID 113257635) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
PubChem CID113257635
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
SMILESCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO4S/c1-9(13(15)18-2)14-19(16,17)12-7-6-10-4-3-5-11(10)8-12/h6-9,14H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyZSAQLUOCBVUADN-SECBINFHSA-N
XLogP1.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
methyl 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]propanoate
CID 54959326
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate?
The IUPAC name of methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate (CID 113257635) is methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate is COC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate?
The InChIKey is ZSAQLUOCBVUADN-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(13(15)18-2)14-19(16,17)12-7-6-10-4-3-5-11(10)8-12/h6-9,14H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate?
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate has a molecular weight of 283.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate is sourced from PubChem (CID 113257635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).