N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide

C11H20N2O2 — CID 90442600

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyNEGDPJRKRVQBGY-SNVBAGLBSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 90442600) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID90442600
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyNEGDPJRKRVQBGY-SNVBAGLBSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 91922998
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-4-methyloxane-4-carboxamide
CID 91923209
N-[rel-(3R,4S)-1-(2-ethoxyethyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72895452
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
4-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 115294072
(4-Aminooxan-4-yl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120030686
1-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 137854216
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
N-(2-aminoethyl)oxane-4-carboxamide
CID 15035312
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide (CID 90442600) is N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide is CN1CC[C@@H](NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NEGDPJRKRVQBGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 90442600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).