2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid

C17H20N2O4 — CID 120977235

IUPAC2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H20N2O4/c20-15(12-6-7-13(12)17(22)23)18-14-8-9-19(16(14)21)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,18,20)(H,22,23)
InChIKeyMLYFQIBZDMJRON-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.01
Rot. Bonds5

About 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid

2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977235) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977235
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NC1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C17H20N2O4/c20-15(12-6-7-13(12)17(22)23)18-14-8-9-19(16(14)21)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,18,20)(H,22,23)
InChIKeyMLYFQIBZDMJRON-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97315048
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 71936343
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1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
CID 125138278
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
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N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120977235) is 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NC1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is MLYFQIBZDMJRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15(12-6-7-13(12)17(22)23)18-14-8-9-19(16(14)21)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,18,20)(H,22,23).
What are the key properties of 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).