(2S)-2-methoxy-2-naphthalen-1-ylacetic acid

C13H12O3 — CID 10013543

IUPAC(2S)-2-methoxy-2-naphthalen-1-ylacetic acid
SMILESCO[C@H](C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H12O3/c1-16-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,14,15)/t12-/m0/s1
InChIKeyMIQWXVUTCSGZIZ-LBPRGKRZSA-N
MW216.24 g/mol
LogP2.61
Rot. Bonds3

About (2S)-2-methoxy-2-naphthalen-1-ylacetic acid

(2S)-2-methoxy-2-naphthalen-1-ylacetic acid (PubChem CID 10013543) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-methoxy-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-naphthalen-1-ylacetic acid
PubChem CID10013543
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(2S)-2-methoxy-2-naphthalen-1-ylacetic acid
SMILESCO[C@H](C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H12O3/c1-16-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,14,15)/t12-/m0/s1
InChIKeyMIQWXVUTCSGZIZ-LBPRGKRZSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-naphthalen-1-ylacetic acid?
The IUPAC name of (2S)-2-methoxy-2-naphthalen-1-ylacetic acid (CID 10013543) is (2S)-2-methoxy-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-naphthalen-1-ylacetic acid?
The canonical SMILES for (2S)-2-methoxy-2-naphthalen-1-ylacetic acid is CO[C@H](C(=O)O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-methoxy-2-naphthalen-1-ylacetic acid?
The InChIKey is MIQWXVUTCSGZIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-naphthalen-1-ylacetic acid?
(2S)-2-methoxy-2-naphthalen-1-ylacetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 10013543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).