4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid

C16H21NO4 — CID 120550207

IUPAC4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H21NO4/c18-15(8-9-16(19)20)17-10-11-21-14(12-17)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)
InChIKeyRMVJQSQEPOJJJZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds6

About 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid

4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid (PubChem CID 120550207) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
PubChem CID120550207
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H21NO4/c18-15(8-9-16(19)20)17-10-11-21-14(12-17)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)
InChIKeyRMVJQSQEPOJJJZ-UHFFFAOYSA-N
XLogP1.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
4-[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-4-oxobutanoic acid
CID 124992467
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid (CID 120550207) is 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid is O=C(O)CCC(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid?
The InChIKey is RMVJQSQEPOJJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(8-9-16(19)20)17-10-11-21-14(12-17)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20).
What are the key properties of 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid?
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 120550207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).