1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

C18H19NO6 — CID 131744188

IUPAC1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.O=C1CCC(=O)N1O
InChIInChI=1S/C14H14O3.C4H5NO3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;6-3-1-2-4(7)5(3)8/h3-9H,1-2H3,(H,15,16);8H,1-2H2/t9-;/m0./s1
InChIKeyOADGQXCXGMXDCB-FVGYRXGTSA-N
MW345.35 g/mol
LogP2.56
Rot. Bonds3

About 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 131744188) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID131744188
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.O=C1CCC(=O)N1O
InChIInChI=1S/C14H14O3.C4H5NO3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;6-3-1-2-4(7)5(3)8/h3-9H,1-2H3,(H,15,16);8H,1-2H2/t9-;/m0./s1
InChIKeyOADGQXCXGMXDCB-FVGYRXGTSA-N
XLogP2.56
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 122592307
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
2-[2-(6-methoxynaphthalen-2-yl)propanoyl]-5-methyl-1H-pyrazol-3-one
CID 11045119
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 131744188) is 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is OADGQXCXGMXDCB-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H14O3.C4H5NO3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;6-3-1-2-4(7)5(3)8/h3-9H,1-2H3,(H,15,16);8H,1-2H2/t9-;/m0./s1.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 345.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 131744188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).