(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide

C9H18N2O2 — CID 54071451

IUPAC(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyMGSXUQWYQLPHEK-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds4

About (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 54071451) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID54071451
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1
InChIKeyMGSXUQWYQLPHEK-QMMMGPOBSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide (CID 54071451) is (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is MGSXUQWYQLPHEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-3-4-8(11)9(12)10-5-7-13-2/h8H,3-7H2,1-2H3,(H,10,12)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).