2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid

C17H22N2O6 — CID 19753755

IUPAC2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
SMILESCN(CC(=O)N1CCOCC1)C(=O)OC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H22N2O6/c1-18(12-15(20)19-7-9-24-10-8-19)17(23)25-14(16(21)22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,21,22)
InChIKeyOJTDKCOMGDVMDI-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.61
Rot. Bonds6

About 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid

2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid (PubChem CID 19753755) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
PubChem CID19753755
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
SMILESCN(CC(=O)N1CCOCC1)C(=O)OC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H22N2O6/c1-18(12-15(20)19-7-9-24-10-8-19)17(23)25-14(16(21)22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,21,22)
InChIKeyOJTDKCOMGDVMDI-UHFFFAOYSA-N
XLogP0.61
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
CID 18638877
benzyl (2S)-2-[methyl-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamoyl]oxy-3-phenylpropanoate
CID 18639020
(2S)-2-[[3-(3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]-methylcarbamoyl]oxy-3-phenylpropanoic acid
CID 18638878
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 22858674
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
2-[[dimethylcarbamoyl(methyl)amino]-methylcarbamoyl]oxy-3-phenylpropanoic acid
CID 19753965
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
CID 57083909
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid?
The IUPAC name of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid (CID 19753755) is 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid?
The canonical SMILES for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid is CN(CC(=O)N1CCOCC1)C(=O)OC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid?
The InChIKey is OJTDKCOMGDVMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-18(12-15(20)19-7-9-24-10-8-19)17(23)25-14(16(21)22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,21,22).
What are the key properties of 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid?
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid has a molecular weight of 350.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid is sourced from PubChem (CID 19753755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).