2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid

C19H23NO4 — CID 134701106

IUPAC2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(C(=O)O)N3CCOC(C)(C)C3)ccc2c1
InChIInChI=1S/C19H23NO4/c1-19(2)12-20(8-9-24-19)17(18(21)22)15-5-4-14-11-16(23-3)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyYTGZDYFWOPAHHR-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.08
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid

2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid (PubChem CID 134701106) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid
PubChem CID134701106
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(C(=O)O)N3CCOC(C)(C)C3)ccc2c1
InChIInChI=1S/C19H23NO4/c1-19(2)12-20(8-9-24-19)17(18(21)22)15-5-4-14-11-16(23-3)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyYTGZDYFWOPAHHR-UHFFFAOYSA-N
XLogP3.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxynaphthalen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 70916227
3-[4-[carboxy-(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 135118356
2-[(3S,5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 134709706
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
2-(3-bromophenyl)-2-[2-(methoxymethyl)-2-methylmorpholin-4-yl]acetic acid
CID 136555576
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid (CID 134701106) is 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid is COc1ccc2cc(C(C(=O)O)N3CCOC(C)(C)C3)ccc2c1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is YTGZDYFWOPAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2)12-20(8-9-24-19)17(18(21)22)15-5-4-14-11-16(23-3)7-6-13(14)10-15/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid?
2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 329.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-2-(6-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 134701106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).