(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid

C18H18O5 — CID 71601195

IUPAC(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid
SMILESCC1(C)OC(=O)[C@H]([C@@H](Cc2ccc3ccccc3c2)C(=O)O)O1
InChIInChI=1S/C18H18O5/c1-18(2)22-15(17(21)23-18)14(16(19)20)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyLFUFTVUAMDTQTF-CABCVRRESA-N
MW314.34 g/mol
LogP2.76
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid

(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 71601195) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid
PubChem CID71601195
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid
SMILESCC1(C)OC(=O)[C@H]([C@@H](Cc2ccc3ccccc3c2)C(=O)O)O1
InChIInChI=1S/C18H18O5/c1-18(2)22-15(17(21)23-18)14(16(19)20)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyLFUFTVUAMDTQTF-CABCVRRESA-N
XLogP2.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-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

3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
CID 58487973
[(1R)-1-[(4R,5R)-2,2-dimethyl-5-[(1R)-1-methylsulfonyloxy-2-naphthalen-2-ylethyl]-1,3-dioxolan-4-yl]-2-naphthalen-2-ylethyl] methanesulfonate
CID 54344137
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid (CID 71601195) is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid is CC1(C)OC(=O)[C@H]([C@@H](Cc2ccc3ccccc3c2)C(=O)O)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is LFUFTVUAMDTQTF-CABCVRRESA-N. The full InChI is InChI=1S/C18H18O5/c1-18(2)22-15(17(21)23-18)14(16(19)20)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14-15H,10H2,1-2H3,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid?
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 71601195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).