(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

C11H22N2O2 — CID 25181103

IUPAC(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-8-6-9(12-7-8)10(14)13(4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyWDRTZWKBCHHCAL-BDAKNGLRSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds2

About (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (PubChem CID 25181103) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
PubChem CID25181103
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-8-6-9(12-7-8)10(14)13(4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyWDRTZWKBCHHCAL-BDAKNGLRSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 67429484
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
CID 67428867
(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
CID 126669698
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
2-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
CID 69186735
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214617
9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 18394446
(2R)-N,N-dimethylazetidine-2-carboxamide
CID 124537269

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (CID 25181103) is (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1.
What is the InChIKey of (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The InChIKey is WDRTZWKBCHHCAL-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-8-6-9(12-7-8)10(14)13(4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
(2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25181103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).