N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide

C13H23N3O3 — CID 119818298

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)C2CNCCO2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)16-8-9(6-11(16)17)15-12(18)10-7-14-4-5-19-10/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyOPNVHIRRPADPMG-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds2

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide (PubChem CID 119818298) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
PubChem CID119818298
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)C2CNCCO2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-13(2,3)16-8-9(6-11(16)17)15-12(18)10-7-14-4-5-19-10/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyOPNVHIRRPADPMG-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119890319
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride
CID 119900351
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
N-(4-ethylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119716179
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158221455
N-(1-cyclohexylpiperidin-4-yl)morpholine-2-carboxamide
CID 119895208
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide (CID 119818298) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide is CC(C)(C)N1CC(NC(=O)C2CNCCO2)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide?
The InChIKey is OPNVHIRRPADPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)16-8-9(6-11(16)17)15-12(18)10-7-14-4-5-19-10/h9-10,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)morpholine-2-carboxamide is sourced from PubChem (CID 119818298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).