tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate

C14H24N2O4 — CID 167481864

IUPACtert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
SMILESCC1(C)CC(CC(C=O)NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4,5)16-11(9)18/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyVSJKWBVNBMPISH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.38
Rot. Bonds4

About tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate

tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate (PubChem CID 167481864) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
PubChem CID167481864
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate
SMILESCC1(C)CC(CC(C=O)NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4,5)16-11(9)18/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,18)
InChIKeyVSJKWBVNBMPISH-UHFFFAOYSA-N
XLogP1.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
tert-butyl N-[(2S)-3-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 162695953
(2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoic acid
CID 175458218
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
CID 163782535
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)propanoate
CID 162479406
tert-butyl N-[1-[[1-[[1-amino-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-1-oxopropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 175458022
methyl (2S)-2-[[(2S)-3-cyclopropyl-2-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893082
[(2S)-3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
CID 175379863
[3-cyclohexyl-1-[[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl] carbamate
CID 175380204
CID 176706795
CID 176706795
tert-butyl N-[1-(3-methyloxetan-3-yl)-3-oxopropan-2-yl]carbamate
CID 145422739
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate (CID 167481864) is tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate is CC1(C)CC(CC(C=O)NC(=O)OC(C)(C)C)C(=O)N1.
What is the InChIKey of tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate?
The InChIKey is VSJKWBVNBMPISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)15-10(8-17)6-9-7-14(4,5)16-11(9)18/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,18).
What are the key properties of tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 167481864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).