2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid

C15H17NO3S — CID 43427140

IUPAC2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
SMILESNC(CSCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3S/c16-14(15(17)18)10-20-8-7-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10,16H2,(H,17,18)
InChIKeyYMTMKJZQXGMWSU-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.36
Rot. Bonds7

About 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid

2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid (PubChem CID 43427140) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
PubChem CID43427140
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
SMILESNC(CSCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO3S/c16-14(15(17)18)10-20-8-7-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10,16H2,(H,17,18)
InChIKeyYMTMKJZQXGMWSU-UHFFFAOYSA-N
XLogP2.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-naphthalen-2-yloxyethylsulfanyl)butanoic acid
CID 60929137
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
CID 66218956
(2S)-2-amino-3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid
CID 93031279
(2S)-2-amino-3-[2-(2-chlorophenoxy)ethylsulfanyl]propanoic acid
CID 93031277
(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid (CID 43427140) is 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid is NC(CSCCOc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid?
The InChIKey is YMTMKJZQXGMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c16-14(15(17)18)10-20-8-7-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10,16H2,(H,17,18).
What are the key properties of 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid?
2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid has a molecular weight of 291.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid is sourced from PubChem (CID 43427140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).