sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C14H13NaO3 — CID 23681059

IUPACsodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]
InChIInChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
InChIKeyCDBRNDSHEYLDJV-FVGYRXGTSA-M
MW252.25 g/mol
LogP-1.29
Rot. Bonds3

About sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 23681059) has the molecular formula C14H13NaO3 and a molecular weight of 252.25 g/mol. Its IUPAC name is sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namesodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID23681059
Molecular FormulaC14H13NaO3
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Namesodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]
InChIInChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
InChIKeyCDBRNDSHEYLDJV-FVGYRXGTSA-M
XLogP-1.29
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 23681059) is sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+].
What is the InChIKey of sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is CDBRNDSHEYLDJV-FVGYRXGTSA-M. The full InChI is InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1.
What are the key properties of sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 252.25 g/mol, XLogP of -1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 23681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).