(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one

C13H13NO2 — CID 173056322

IUPAC(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c14-12(8-15)13(16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,15H,8,14H2/t12-/m0/s1
InChIKeyBNEIDXQDOXIECT-LBPRGKRZSA-N
MW215.25 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one

(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one (PubChem CID 173056322) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
PubChem CID173056322
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
SMILESN[C@@H](CO)C(=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c14-12(8-15)13(16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,15H,8,14H2/t12-/m0/s1
InChIKeyBNEIDXQDOXIECT-LBPRGKRZSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1-naphthalen-1-ylbutan-1-one
CID 116923135
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
CID 129133768
CID 129133768
2-naphthalen-1-yl-2-oxoethane-1,1-disulfonic acid
CID 87145288
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
naphthalene-1-carbonyl iodide
CID 87393513
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one (CID 173056322) is (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one is N[C@@H](CO)C(=O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one?
The InChIKey is BNEIDXQDOXIECT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO2/c14-12(8-15)13(16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,15H,8,14H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one?
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one has a molecular weight of 215.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 173056322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).