3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid

C15H19NO5 — CID 2943012

IUPAC3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
SMILESO=C(O)CC(C(=O)OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19NO5/c17-14(18)10-13(16-6-8-20-9-7-16)15(19)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyVCXNECKKSLEGNN-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.91
Rot. Bonds6

About 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid

3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid (PubChem CID 2943012) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
PubChem CID2943012
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
SMILESO=C(O)CC(C(=O)OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19NO5/c17-14(18)10-13(16-6-8-20-9-7-16)15(19)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyVCXNECKKSLEGNN-UHFFFAOYSA-N
XLogP0.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 2194176
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
4-oxo-4-phenylmethoxy-3-phenylmethoxycarbonylbutanoic acid
CID 23598271
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
CID 106484119
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid?
The IUPAC name of 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid (CID 2943012) is 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid?
The canonical SMILES for 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid is O=C(O)CC(C(=O)OCc1ccccc1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid?
The InChIKey is VCXNECKKSLEGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)10-13(16-6-8-20-9-7-16)15(19)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18).
What are the key properties of 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid?
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 2943012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).