N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide

C12H23N3O2 — CID 79668308

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCC(=O)N1
InChIInChI=1S/C12H23N3O2/c1-4-15(8-12(2,3)7-13)11(17)9-5-6-10(16)14-9/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyVDNAAXPELSWOPI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 79668308) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID79668308
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCC(=O)N1
InChIInChI=1S/C12H23N3O2/c1-4-15(8-12(2,3)7-13)11(17)9-5-6-10(16)14-9/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyVDNAAXPELSWOPI-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide (CID 79668308) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide is CCN(CC(C)(C)CN)C(=O)C1CCC(=O)N1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VDNAAXPELSWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15(8-12(2,3)7-13)11(17)9-5-6-10(16)14-9/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 79668308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).