(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide

C9H18N2O2 — CID 69067247

IUPAC(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCO
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)8-4-3-5-11(8)6-7-12/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUARSXOXOQODMBW-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds3

About (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 69067247) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID69067247
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1CCO
InChIInChI=1S/C9H18N2O2/c1-10(2)9(13)8-4-3-5-11(8)6-7-12/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUARSXOXOQODMBW-QMMMGPOBSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 69067247) is (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1CCO.
What is the InChIKey of (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is UARSXOXOQODMBW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)9(13)8-4-3-5-11(8)6-7-12/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-hydroxyethyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 69067247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).