2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid

C18H25NO5 — CID 119249045

IUPAC2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C18H25NO5/c1-18(2,11-13-6-4-5-7-15(13)23-3)17(22)19-8-9-24-14(12-19)10-16(20)21/h4-7,14H,8-12H2,1-3H3,(H,20,21)
InChIKeySQZVVKFVYINVBK-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid (PubChem CID 119249045) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
PubChem CID119249045
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C18H25NO5/c1-18(2,11-13-6-4-5-7-15(13)23-3)17(22)19-8-9-24-14(12-19)10-16(20)21/h4-7,14H,8-12H2,1-3H3,(H,20,21)
InChIKeySQZVVKFVYINVBK-UHFFFAOYSA-N
XLogP1.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholine-2-carboxylic acid
CID 125150978
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
(3R,4R)-4-cyclopropyl-1-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]pyrrolidine-3-carboxylic acid
CID 120978075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid (CID 119249045) is 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid is COc1ccccc1CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid?
The InChIKey is SQZVVKFVYINVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(2,11-13-6-4-5-7-15(13)23-3)17(22)19-8-9-24-14(12-19)10-16(20)21/h4-7,14H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119249045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).