(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide

C10H20N2O2 — CID 90927663

IUPAC(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCOCC1C[C@H](C(=O)N(C)C)CN1C
InChIInChI=1S/C10H20N2O2/c1-11(2)10(13)8-5-9(7-14-4)12(3)6-8/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyNGPCGVGIPGLHSR-IENPIDJESA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds3

About (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide

(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide (PubChem CID 90927663) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide
PubChem CID90927663
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCOCC1C[C@H](C(=O)N(C)C)CN1C
InChIInChI=1S/C10H20N2O2/c1-11(2)10(13)8-5-9(7-14-4)12(3)6-8/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyNGPCGVGIPGLHSR-IENPIDJESA-N
XLogP0.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide (CID 90927663) is (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide is COCC1C[C@H](C(=O)N(C)C)CN1C.
What is the InChIKey of (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide?
The InChIKey is NGPCGVGIPGLHSR-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)10(13)8-5-9(7-14-4)12(3)6-8/h8-9H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide?
(3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(methoxymethyl)-N,N,1-trimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).