[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate

C17H19ClN2O4 — CID 9305131

IUPAC[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
SMILESC=CCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C17H19ClN2O4/c1-3-8-19-16(22)11(2)24-17(23)12-6-7-13(18)14(10-12)20-9-4-5-15(20)21/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H,19,22)/t11-/m1/s1
InChIKeyLNKNYWOJSHWIMS-LLVKDONJSA-N
MW350.80 g/mol
LogP2.31
Rot. Bonds6

About [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9305131) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9305131
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
SMILESC=CCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C17H19ClN2O4/c1-3-8-19-16(22)11(2)24-17(23)12-6-7-13(18)14(10-12)20-9-4-5-15(20)21/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H,19,22)/t11-/m1/s1
InChIKeyLNKNYWOJSHWIMS-LLVKDONJSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305093
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9305090
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55420956
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8735266
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9380048
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952921
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8543950
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952821
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate (CID 9305131) is [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate is C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is LNKNYWOJSHWIMS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-3-8-19-16(22)11(2)24-17(23)12-6-7-13(18)14(10-12)20-9-4-5-15(20)21/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 350.80 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9305131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).