[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate

C16H17BrN2O5 — CID 8574538

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H17BrN2O5/c17-12-5-3-11(4-6-12)16(23)18-8-7-15(22)24-10-14(21)19-9-1-2-13(19)20/h3-6H,1-2,7-10H2,(H,18,23)
InChIKeyMNYRHFBPFLDEMF-UHFFFAOYSA-N
MW397.23 g/mol
LogP1.26
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate (PubChem CID 8574538) has the molecular formula C16H17BrN2O5 and a molecular weight of 397.23 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
PubChem CID8574538
Molecular FormulaC16H17BrN2O5
Molecular Weight397.23 g/mol
Exact Mass396.03
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H17BrN2O5/c17-12-5-3-11(4-6-12)16(23)18-8-7-15(22)24-10-14(21)19-9-1-2-13(19)20/h3-6H,1-2,7-10H2,(H,18,23)
InChIKeyMNYRHFBPFLDEMF-UHFFFAOYSA-N
XLogP1.26
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 2394384
[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574417
4-bromo-N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 27838036
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528272
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843493
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-acetamidobenzoate
CID 4885358
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 5199971
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363133
ethyl 4-[2-[2-[(4-bromobenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 29461635
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate (CID 8574538) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate is O=C(CCNC(=O)c1ccc(Br)cc1)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is MNYRHFBPFLDEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5/c17-12-5-3-11(4-6-12)16(23)18-8-7-15(22)24-10-14(21)19-9-1-2-13(19)20/h3-6H,1-2,7-10H2,(H,18,23).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 397.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 8574538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).