ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate

C15H18N2O4 — CID 139636721

IUPACethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1C(=O)CC(N)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-21-15(20)12(8-10-6-4-3-5-7-10)17-13(18)9-11(16)14(17)19/h3-7,11-12H,2,8-9,16H2,1H3
InChIKeyQXNABQFOVRFDQX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.25
Rot. Bonds5

About ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate

ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate (PubChem CID 139636721) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
PubChem CID139636721
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N1C(=O)CC(N)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-21-15(20)12(8-10-6-4-3-5-7-10)17-13(18)9-11(16)14(17)19/h3-7,11-12H,2,8-9,16H2,1H3
InChIKeyQXNABQFOVRFDQX-UHFFFAOYSA-N
XLogP0.25
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
ethyl (2S)-2-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-phenylpropanoate
CID 101253204
ethyl (2R)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoate
CID 135710932
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxooxathiazolidin-3-yl]-3-phenylpropanoate
CID 11186012
prop-2-enyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 102417431
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-3-phenyl-N,N-dipropylpropanamide
CID 53276717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate?
The IUPAC name of ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate (CID 139636721) is ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)N1C(=O)CC(N)C1=O.
What is the InChIKey of ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate?
The InChIKey is QXNABQFOVRFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-15(20)12(8-10-6-4-3-5-7-10)17-13(18)9-11(16)14(17)19/h3-7,11-12H,2,8-9,16H2,1H3.
What are the key properties of ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate?
ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate has a molecular weight of 290.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate is sourced from PubChem (CID 139636721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).