4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid

C16H20N2O5 — CID 119239507

IUPAC4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(=O)NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-11(19)17-13(12-5-3-2-4-6-12)9-15(20)18-7-8-23-14(10-18)16(21)22/h2-6,13-14H,7-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyPWZJLGIXFDTVLC-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.57
Rot. Bonds5

About 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid

4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid (PubChem CID 119239507) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
PubChem CID119239507
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
SMILESCC(=O)NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-11(19)17-13(12-5-3-2-4-6-12)9-15(20)18-7-8-23-14(10-18)16(21)22/h2-6,13-14H,7-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyPWZJLGIXFDTVLC-UHFFFAOYSA-N
XLogP0.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125132677
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119485084
N-[(1R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxo-1-phenylpropyl]acetamide
CID 11938692
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid (CID 119239507) is 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid is CC(=O)NC(CC(=O)N1CCOC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
The InChIKey is PWZJLGIXFDTVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-11(19)17-13(12-5-3-2-4-6-12)9-15(20)18-7-8-23-14(10-18)16(21)22/h2-6,13-14H,7-10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid?
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).