sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid

C14H15NaO3 — CID 173070735

IUPACsodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)C(=O)O)ccc2c1.[H-].[Na+]
InChIInChI=1S/C14H14O3.Na.H/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;-1
InChIKeyWRFJERISZTWKQP-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.15
Rot. Bonds3

About sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid

sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 173070735) has the molecular formula C14H15NaO3 and a molecular weight of 254.26 g/mol. Its IUPAC name is sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Namesodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID173070735
Molecular FormulaC14H15NaO3
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Namesodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)C(=O)O)ccc2c1.[H-].[Na+]
InChIInChI=1S/C14H14O3.Na.H/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;-1
InChIKeyWRFJERISZTWKQP-UHFFFAOYSA-N
XLogP0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
3-(6-methoxynaphthalen-2-yl)butan-2-one
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3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 131744188
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
ethyl 4-aminobenzoate;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 121437225

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 173070735) is sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc(C(C)C(=O)O)ccc2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is WRFJERISZTWKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.Na.H/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;-1.
What are the key properties of sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid?
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 254.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 173070735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).