(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid

C16H21NO5 — CID 125133585

IUPAC(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO5/c1-12(7-9-22-13-5-3-2-4-6-13)15(18)17-8-10-21-11-14(17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20)/t12-,14-/m1/s1
InChIKeyVIUUYEPKMVSXKL-TZMCWYRMSA-N
MW307.35 g/mol
LogP1.40
Rot. Bonds6

About (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid

(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid (PubChem CID 125133585) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
PubChem CID125133585
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO5/c1-12(7-9-22-13-5-3-2-4-6-13)15(18)17-8-10-21-11-14(17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20)/t12-,14-/m1/s1
InChIKeyVIUUYEPKMVSXKL-TZMCWYRMSA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
4-[2-(4-phenylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 119216684
(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
CID 95905191
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
(3S)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carboxylic acid
CID 124513285
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 71985237
(2R)-2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 95901650
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid (CID 125133585) is (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid is C[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid?
The InChIKey is VIUUYEPKMVSXKL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21NO5/c1-12(7-9-22-13-5-3-2-4-6-13)15(18)17-8-10-21-11-14(17)16(19)20/h2-6,12,14H,7-11H2,1H3,(H,19,20)/t12-,14-/m1/s1.
What are the key properties of (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid?
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).