N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide

C11H21N3O3 — CID 61214612

IUPACN-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(CC(N)=O)C(C)C)C1
InChIInChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)15)11(16)9-4-8(17-3)5-13-9/h7-9,13H,4-6H2,1-3H3,(H2,12,15)
InChIKeyPPBJFHPPTLBAQW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.91
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide

N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 61214612) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID61214612
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(CC(N)=O)C(C)C)C1
InChIInChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)15)11(16)9-4-8(17-3)5-13-9/h7-9,13H,4-6H2,1-3H3,(H2,12,15)
InChIKeyPPBJFHPPTLBAQW-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide (CID 61214612) is N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide is COC1CNC(C(=O)N(CC(N)=O)C(C)C)C1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PPBJFHPPTLBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)14(6-10(12)15)11(16)9-4-8(17-3)5-13-9/h7-9,13H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide?
N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61214612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).