2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate

C22H24N2O4 — CID 9004431

IUPAC2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15(2)14-28-22(27)16-8-10-18(11-9-16)23-21(26)17-12-20(25)24(13-17)19-6-4-3-5-7-19/h3-11,15,17H,12-14H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyFTFMLWBNJOXOFA-QGZVFWFLSA-N
MW380.44 g/mol
LogP3.49
Rot. Bonds6

About 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate

2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 9004431) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
PubChem CID9004431
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
SMILESCC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C22H24N2O4/c1-15(2)14-28-22(27)16-8-10-18(11-9-16)23-21(26)17-12-20(25)24(13-17)19-6-4-3-5-7-19/h3-11,15,17H,12-14H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyFTFMLWBNJOXOFA-QGZVFWFLSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
propan-2-yl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 1260248
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate (CID 9004431) is 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate is CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is FTFMLWBNJOXOFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(2)14-28-22(27)16-8-10-18(11-9-16)23-21(26)17-12-20(25)24(13-17)19-6-4-3-5-7-19/h3-11,15,17H,12-14H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate?
2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 9004431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).