N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide

C16H20ClN3O2 — CID 119615310

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESNCC(NC(=O)C1CCN(c2cccc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C16H20ClN3O2/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21)
InChIKeyLBAGAPOGSSKKDN-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.55
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 119615310) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID119615310
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESNCC(NC(=O)C1CCN(c2cccc(Cl)c2)C1=O)C1CC1
InChIInChI=1S/C16H20ClN3O2/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21)
InChIKeyLBAGAPOGSSKKDN-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 119615310) is N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is NCC(NC(=O)C1CCN(c2cccc(Cl)c2)C1=O)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is LBAGAPOGSSKKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-11-2-1-3-12(8-11)20-7-6-13(16(20)22)15(21)19-14(9-18)10-4-5-10/h1-3,8,10,13-14H,4-7,9,18H2,(H,19,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 1.55, 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-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119615310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).