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

C15H19NO4 — CID 124692903

IUPAC(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(12-5-3-2-4-6-12)9-14(17)16-7-8-20-13(10-16)15(18)19/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyYQDNSLJVGJAQOX-DGCLKSJQSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds4

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

(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid (PubChem CID 124692903) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
PubChem CID124692903
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(12-5-3-2-4-6-12)9-14(17)16-7-8-20-13(10-16)15(18)19/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13-/m1/s1
InChIKeyYQDNSLJVGJAQOX-DGCLKSJQSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
4-[3-(4-aminophenyl)butanoyl]morpholine-2-carboxylic acid
CID 104502499
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
(2S)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholine-2-carboxylic acid
CID 125151293
(2S)-4-[(3S)-3-[2-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 124688478
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid (CID 124692903) is (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid is C[C@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid?
The InChIKey is YQDNSLJVGJAQOX-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(12-5-3-2-4-6-12)9-14(17)16-7-8-20-13(10-16)15(18)19/h2-6,11,13H,7-10H2,1H3,(H,18,19)/t11-,13-/m1/s1.
What are the key properties of (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid?
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124692903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).