methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate

C15H20N2O4 — CID 3297862

IUPACmethyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)13(11-12-5-3-2-4-6-12)16-15(19)17-7-9-21-10-8-17/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyQWOZSUJMZCZYQN-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate

methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate (PubChem CID 3297862) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
PubChem CID3297862
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)13(11-12-5-3-2-4-6-12)16-15(19)17-7-9-21-10-8-17/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyQWOZSUJMZCZYQN-UHFFFAOYSA-N
XLogP0.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
CID 74662394
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
methyl 3-(2-hydroxypyrrolidin-3-yl)-2-[[2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]propanoate
CID 123771201
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
methyl (2R)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 124645062
N-[(2S)-1-[[(1S)-1-cyanobutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70077523
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate;oxolane
CID 139079471
methyl 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 71710533
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
methyl (2R)-2-[[(3S)-3-[[1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-2-oxoheptanoyl]amino]-3-phenylpropanoate
CID 59088213

Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate?
The IUPAC name of methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate (CID 3297862) is methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate?
The InChIKey is QWOZSUJMZCZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-14(18)13(11-12-5-3-2-4-6-12)16-15(19)17-7-9-21-10-8-17/h2-6,13H,7-11H2,1H3,(H,16,19).
What are the key properties of methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate?
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 3297862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).