(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide

C9H16N2O3 — CID 176625265

IUPAC(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)COC)C1
InChIInChI=1S/C9H16N2O3/c1-10-9(13)7-3-4-11(5-7)8(12)6-14-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyLRTGRFCSPUHECX-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.77
Rot. Bonds3

About (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide

(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 176625265) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID176625265
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)COC)C1
InChIInChI=1S/C9H16N2O3/c1-10-9(13)7-3-4-11(5-7)8(12)6-14-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyLRTGRFCSPUHECX-ZETCQYMHSA-N
XLogP-0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide (CID 176625265) is (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(C(=O)COC)C1.
What is the InChIKey of (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is LRTGRFCSPUHECX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10-9(13)7-3-4-11(5-7)8(12)6-14-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 176625265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).