(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid

C15H15NO3 — CID 723249

IUPAC(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyHGTIILKZSFKZMS-AWEZNQCLSA-N
MW257.29 g/mol
LogP1.97
Rot. Bonds4

About (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid

(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid (PubChem CID 723249) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid
PubChem CID723249
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKeyHGTIILKZSFKZMS-AWEZNQCLSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid (CID 723249) is (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid is CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid?
The InChIKey is HGTIILKZSFKZMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid?
(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 723249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).