methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate

C16H20N2O4 — CID 9401047

IUPACmethyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H20N2O4/c1-10(2)18-9-11(8-14(18)19)15(20)17-13-7-5-4-6-12(13)16(21)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyAHNRRWIXYNAXTF-LLVKDONJSA-N
MW304.35 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 9401047) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
PubChem CID9401047
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H20N2O4/c1-10(2)18-9-11(8-14(18)19)15(20)17-13-7-5-4-6-12(13)16(21)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyAHNRRWIXYNAXTF-LLVKDONJSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
CID 9401051
(3R)-N-(2-carbamoylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401166
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
methyl 2-[[1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17120097
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
methyl 2-[2-oxo-4-[(2-propan-2-ylphenyl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 113189194

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate (CID 9401047) is methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1.
What is the InChIKey of methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is AHNRRWIXYNAXTF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)18-9-11(8-14(18)19)15(20)17-13-7-5-4-6-12(13)16(21)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 304.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 9401047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).