(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide

C10H18N2O2 — CID 10512171

IUPAC(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1N(C(C)=O)CCC1(C)C
InChIInChI=1S/C10H18N2O2/c1-7(13)12-6-5-10(2,3)8(12)9(14)11-4/h8H,5-6H2,1-4H3,(H,11,14)/t8-/m1/s1
InChIKeyAZOJULLNFYFALP-MRVPVSSYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds1

About (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide

(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide (PubChem CID 10512171) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide
PubChem CID10512171
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1N(C(C)=O)CCC1(C)C
InChIInChI=1S/C10H18N2O2/c1-7(13)12-6-5-10(2,3)8(12)9(14)11-4/h8H,5-6H2,1-4H3,(H,11,14)/t8-/m1/s1
InChIKeyAZOJULLNFYFALP-MRVPVSSYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide (CID 10512171) is (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide is CNC(=O)[C@H]1N(C(C)=O)CCC1(C)C.
What is the InChIKey of (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide?
The InChIKey is AZOJULLNFYFALP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)12-6-5-10(2,3)8(12)9(14)11-4/h8H,5-6H2,1-4H3,(H,11,14)/t8-/m1/s1.
What are the key properties of (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide?
(2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N,3,3-trimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10512171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).