N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide

C11H19N3O3 — CID 66195478

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H19N3O3/c1-2-17-8-5-6(12)10(8)14-11(16)7-3-4-9(15)13-7/h6-8,10H,2-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeySIKHQGPNMXIQKR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.11
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 66195478) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID66195478
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H19N3O3/c1-2-17-8-5-6(12)10(8)14-11(16)7-3-4-9(15)13-7/h6-8,10H,2-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeySIKHQGPNMXIQKR-UHFFFAOYSA-N
XLogP-1.11
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide (CID 66195478) is N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide is CCOC1CC(N)C1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SIKHQGPNMXIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-17-8-5-6(12)10(8)14-11(16)7-3-4-9(15)13-7/h6-8,10H,2-5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 66195478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).