1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide

C12H25N3O2 — CID 126615118

IUPAC1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCNCCNC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-6-13-5/h9,13,17H,6-8H2,1-5H3,(H,14,16)
InChIKeyXTUSQRKZZHLPTF-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.59
Rot. Bonds4

About 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide

1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 126615118) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID126615118
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCNCCNC(=O)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-6-13-5/h9,13,17H,6-8H2,1-5H3,(H,14,16)
InChIKeyXTUSQRKZZHLPTF-UHFFFAOYSA-N
XLogP0.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide (CID 126615118) is 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide is CNCCNC(=O)C1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XTUSQRKZZHLPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2)8-9(12(3,4)15(11)17)10(16)14-7-6-13-5/h9,13,17H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).