(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid

C15H21NO4S — CID 79009391

IUPAC(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO4S/c1-10(2)14(15(17)18)16-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14,16H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyYLCOFXWYRUKGGR-CQSZACIVSA-N
MW311.40 g/mol
LogP1.95
Rot. Bonds5

About (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid

(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid (PubChem CID 79009391) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
PubChem CID79009391
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C15H21NO4S/c1-10(2)14(15(17)18)16-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14,16H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyYLCOFXWYRUKGGR-CQSZACIVSA-N
XLogP1.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)butanedioic acid
CID 112733090
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
CID 167766250
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
(2S)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 12042324

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid (CID 79009391) is (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid?
The InChIKey is YLCOFXWYRUKGGR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10(2)14(15(17)18)16-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14,16H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid?
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid has a molecular weight of 311.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 79009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).