3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid

C15H20N2O4 — CID 83101373

IUPAC3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
SMILESCNC(=O)C1COCCN1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(18)13-10-21-8-7-17(13)9-12(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyVZHSSEDOPDMGDO-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.30
Rot. Bonds5

About 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid

3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid (PubChem CID 83101373) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
PubChem CID83101373
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
SMILESCNC(=O)C1COCCN1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-16-14(18)13-10-21-8-7-17(13)9-12(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyVZHSSEDOPDMGDO-UHFFFAOYSA-N
XLogP0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240
4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylmorpholine-3-carboxamide
CID 83106929
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid (CID 83101373) is 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid is CNC(=O)C1COCCN1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid?
The InChIKey is VZHSSEDOPDMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-14(18)13-10-21-8-7-17(13)9-12(15(19)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid?
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 83101373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).