N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H23N3O2 — CID 119616744

IUPACN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(CN)C3CC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O2/c1-11-2-6-14(7-3-11)20-10-13(8-16(20)21)17(22)19-15(9-18)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10,18H2,1H3,(H,19,22)
InChIKeyVTBKYTPYJHOHSH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.20
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119616744) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119616744
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(CN)C3CC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O2/c1-11-2-6-14(7-3-11)20-10-13(8-16(20)21)17(22)19-15(9-18)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10,18H2,1H3,(H,19,22)
InChIKeyVTBKYTPYJHOHSH-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
N-(2-amino-1-cyclohexylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119589879
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119616744) is N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC(CN)C3CC3)CC2=O)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VTBKYTPYJHOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-2-6-14(7-3-11)20-10-13(8-16(20)21)17(22)19-15(9-18)12-4-5-12/h2-3,6-7,12-13,15H,4-5,8-10,18H2,1H3,(H,19,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119616744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).