(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

C12H23N3O3 — CID 56706730

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)COC
InChIInChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)10-6-9(13)7-15(10)11(16)8-18-3/h9-10H,4-8,13H2,1-3H3/t9-,10+/m1/s1
InChIKeyOXIFDVMCQMVSQH-ZJUUUORDSA-N
MW257.33 g/mol
LogP-0.57
Rot. Bonds5

About (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 56706730) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID56706730
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)COC
InChIInChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)10-6-9(13)7-15(10)11(16)8-18-3/h9-10H,4-8,13H2,1-3H3/t9-,10+/m1/s1
InChIKeyOXIFDVMCQMVSQH-ZJUUUORDSA-N
XLogP-0.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (CID 56706730) is (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)COC.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is OXIFDVMCQMVSQH-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)10-6-9(13)7-15(10)11(16)8-18-3/h9-10H,4-8,13H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56706730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).