2-(naphthalen-1-ylmethylsulfonyl)propanoic acid

C14H14O4S — CID 24690694

IUPAC2-(naphthalen-1-ylmethylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O4S/c1-10(14(15)16)19(17,18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyUVIHLYQACHZAMA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.23
Rot. Bonds4

About 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid

2-(naphthalen-1-ylmethylsulfonyl)propanoic acid (PubChem CID 24690694) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfonyl)propanoic acid
PubChem CID24690694
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(naphthalen-1-ylmethylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O4S/c1-10(14(15)16)19(17,18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyUVIHLYQACHZAMA-UHFFFAOYSA-N
XLogP2.23
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-2-pyridinyl)methylsulfonyl]propanoic acid
CID 79268059
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
4-(naphthalen-1-ylmethylsulfonyl)butan-2-one
CID 83970878
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
[dimethyl(naphthalen-1-ylmethyl)-λ4-sulfanyl] hydrogen sulfate
CID 134929077
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid (CID 24690694) is 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid?
The InChIKey is UVIHLYQACHZAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-10(14(15)16)19(17,18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16).
What are the key properties of 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid?
2-(naphthalen-1-ylmethylsulfonyl)propanoic acid has a molecular weight of 278.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfonyl)propanoic acid is sourced from PubChem (CID 24690694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).