4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid

C17H17NO4 — CID 119216821

IUPAC4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H17NO4/c19-16(18-8-9-22-11-15(18)17(20)21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2,(H,20,21)
InChIKeySLVYWKJCUXGCBH-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid

4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid (PubChem CID 119216821) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
PubChem CID119216821
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H17NO4/c19-16(18-8-9-22-11-15(18)17(20)21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2,(H,20,21)
InChIKeySLVYWKJCUXGCBH-UHFFFAOYSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-naphthalen-1-ylethanone
CID 71785974
4-[2-(2,4-dimethylquinolin-3-yl)acetyl]morpholine-3-carboxylic acid
CID 126772920
4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxamide
CID 83094374
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
CID 125151737
(3S)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133070
(3R)-4-[2-(4-pyrazol-1-ylphenyl)acetyl]morpholine-3-carboxylic acid
CID 125133071

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid (CID 119216821) is 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid?
The InChIKey is SLVYWKJCUXGCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(18-8-9-22-11-15(18)17(20)21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2,(H,20,21).
What are the key properties of 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid?
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).