2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid

C17H23NO5 — CID 125132179

IUPAC2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-12(14-5-3-4-6-15(14)22-2)9-16(19)18-7-8-23-13(11-18)10-17(20)21/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyAQKJTNNFOFQVCH-QWHCGFSZSA-N
MW321.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 125132179) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
PubChem CID125132179
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-12(14-5-3-4-6-15(14)22-2)9-16(19)18-7-8-23-13(11-18)10-17(20)21/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyAQKJTNNFOFQVCH-QWHCGFSZSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
(2S)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholine-2-carboxylic acid
CID 125151293
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
2-[4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248672
2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124692935

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid (CID 125132179) is 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid is COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is AQKJTNNFOFQVCH-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(14-5-3-4-6-15(14)22-2)9-16(19)18-7-8-23-13(11-18)10-17(20)21/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)/t12-,13+/m0/s1.
What are the key properties of 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125132179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).