2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid

C15H17NO4S — CID 114795460

IUPAC2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)C(C)C(=O)O
InChIInChI=1S/C15H17NO4S/c1-10(15(17)18)11(2)16-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,16H,1-2H3,(H,17,18)
InChIKeyIPNRYIDKVIFVOX-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid

2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid (PubChem CID 114795460) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
PubChem CID114795460
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)C(C)C(=O)O
InChIInChI=1S/C15H17NO4S/c1-10(15(17)18)11(2)16-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,16H,1-2H3,(H,17,18)
InChIKeyIPNRYIDKVIFVOX-UHFFFAOYSA-N
XLogP2.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid (CID 114795460) is 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid is CC(NS(=O)(=O)c1cccc2ccccc12)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid?
The InChIKey is IPNRYIDKVIFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10(15(17)18)11(2)16-21(19,20)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid?
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid has a molecular weight of 307.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 114795460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).