(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid

C14H14O3 — CID 10466391

IUPAC(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
SMILESO=C(O)[C@@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O3/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyALLLEAJULDEPSS-GFCCVEGCSA-N
MW230.26 g/mol
LogP2.08
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid

(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid (PubChem CID 10466391) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
PubChem CID10466391
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
SMILESO=C(O)[C@@H](CO)Cc1cccc2ccccc12
InChIInChI=1S/C14H14O3/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9H2,(H,16,17)/t12-/m1/s1
InChIKeyALLLEAJULDEPSS-GFCCVEGCSA-N
XLogP2.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
(2R)-4-cyano-2-(naphthalen-1-ylmethyl)butanoic acid
CID 18611834
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
(2S)-2-(azaniumylmethyl)-3-naphthalen-1-ylpropanoate
CID 29061426
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
CID 14252647
2-[(3-methylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245641
2-[(2-methylsulfanylpropanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245630
2-[(2,2-dimethylbutanoylamino)methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245534
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid (CID 10466391) is (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid is O=C(O)[C@@H](CO)Cc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid?
The InChIKey is ALLLEAJULDEPSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14O3/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,15H,8-9H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid?
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 10466391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).