1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C17H21N3O4 — CID 122004000

IUPAC1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CC(NC(=O)N2CCC(C(=O)O)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-11-9-14(15(21)20(11)13-5-3-2-4-6-13)18-17(24)19-8-7-12(10-19)16(22)23/h2-6,11-12,14H,7-10H2,1H3,(H,18,24)(H,22,23)
InChIKeyYUMRRQVQGPARLU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.30
Rot. Bonds3

About 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122004000) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122004000
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CC(NC(=O)N2CCC(C(=O)O)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-11-9-14(15(21)20(11)13-5-3-2-4-6-13)18-17(24)19-8-7-12(10-19)16(22)23/h2-6,11-12,14H,7-10H2,1H3,(H,18,24)(H,22,23)
InChIKeyYUMRRQVQGPARLU-UHFFFAOYSA-N
XLogP1.30
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997
N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119336511
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065674
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
(2R)-2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119336526
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119806294
3-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119336507
1-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 119336522
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
1-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122003176
2-(1,3-dioxan-2-yl)-N-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 124626029
2-amino-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide
CID 120795162

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122004000) is 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1CC(NC(=O)N2CCC(C(=O)O)C2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YUMRRQVQGPARLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-9-14(15(21)20(11)13-5-3-2-4-6-13)18-17(24)19-8-7-12(10-19)16(22)23/h2-6,11-12,14H,7-10H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122004000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).