(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid

C13H13NO4S — CID 103862696

IUPAC(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO4S/c1-9(13(15)16)14-19(17,18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyWEDLPAQWIONWGX-SECBINFHSA-N
MW279.32 g/mol
LogP1.59
Rot. Bonds4

About (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid

(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid (PubChem CID 103862696) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
PubChem CID103862696
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO4S/c1-9(13(15)16)14-19(17,18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyWEDLPAQWIONWGX-SECBINFHSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
(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
2-[(2-methylsulfanylphenyl)sulfonylamino]propanoic acid
CID 122068116
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid?
The IUPAC name of (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid (CID 103862696) is (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid is C[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid?
The InChIKey is WEDLPAQWIONWGX-SECBINFHSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-9(13(15)16)14-19(17,18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid?
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid has a molecular weight of 279.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 103862696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).