1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide

C17H21N3O3 — CID 110625068

IUPAC1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCC(=O)N1Cc1ccccc1)NC1CC1
InChIInChI=1S/C17H21N3O3/c21-15(19-13-6-7-13)10-18-17(23)14-8-9-16(22)20(14)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,23)(H,19,21)
InChIKeyJBZOSQDWXNGVQX-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.57
Rot. Bonds6

About 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110625068) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110625068
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCC(=O)N1Cc1ccccc1)NC1CC1
InChIInChI=1S/C17H21N3O3/c21-15(19-13-6-7-13)10-18-17(23)14-8-9-16(22)20(14)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,23)(H,19,21)
InChIKeyJBZOSQDWXNGVQX-UHFFFAOYSA-N
XLogP0.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
CID 110410559
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide (CID 110625068) is 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCC(=O)N1Cc1ccccc1)NC1CC1.
What is the InChIKey of 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JBZOSQDWXNGVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(19-13-6-7-13)10-18-17(23)14-8-9-16(22)20(14)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,23)(H,19,21).
What are the key properties of 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).