(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid

C16H19NO4S — CID 67206691

IUPAC(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H19NO4S/c1-2-10-22(20,21)17-15(16(18)19)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15,17H,2,10-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyFPIJECCADXNTDU-HNNXBMFYSA-N
MW321.40 g/mol
LogP2.16
Rot. Bonds7

About (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid

(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid (PubChem CID 67206691) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
PubChem CID67206691
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C16H19NO4S/c1-2-10-22(20,21)17-15(16(18)19)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15,17H,2,10-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyFPIJECCADXNTDU-HNNXBMFYSA-N
XLogP2.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-(propylsulfonylamino)propanamide
CID 67204882
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2S)-3-(4-hydroxyphenyl)-2-(propylsulfonylamino)propanoic acid
CID 30046268
2-(hexadecanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 23093240
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
(2R)-2-(methylamino)-1-naphthalen-1-ylpentan-3-one
CID 142921923
(2S)-2-[[(E)-hex-3-enoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 68734078
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
2-(2-ethoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 63246185
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid?
The IUPAC name of (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid (CID 67206691) is (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid?
The canonical SMILES for (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid is CCCS(=O)(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid?
The InChIKey is FPIJECCADXNTDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-2-10-22(20,21)17-15(16(18)19)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15,17H,2,10-11H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid?
(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid has a molecular weight of 321.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid is sourced from PubChem (CID 67206691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).