(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid

C14H14O3 — CID 104876043

IUPAC(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
SMILESC[C@H](OCc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H14O3/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYTKBUDDFIDXZJY-JTQLQIEISA-N
MW230.26 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid

(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid (PubChem CID 104876043) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
PubChem CID104876043
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
SMILESC[C@H](OCc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H14O3/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYTKBUDDFIDXZJY-JTQLQIEISA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
CID 104875534
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
naphthalen-1-ylmethyl propanoate
CID 13262702
2-(naphthalen-1-ylmethylsulfonyl)propanoic acid
CID 24690694
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
1-(hexan-2-yloxymethyl)naphthalene
CID 126552542
(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid?
The IUPAC name of (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid (CID 104876043) is (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid?
The canonical SMILES for (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid is C[C@H](OCc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid?
The InChIKey is YTKBUDDFIDXZJY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14O3/c1-10(14(15)16)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid?
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylmethoxy)propanoic acid is sourced from PubChem (CID 104876043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).