tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate

C14H24N2O3 — CID 97300200

IUPACtert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2CNC(=O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)11-8-12(17)15-9-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFROYIVDQMKSAJT-LLVKDONJSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate (PubChem CID 97300200) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
PubChem CID97300200
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2CNC(=O)C2)CC1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)11-8-12(17)15-9-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFROYIVDQMKSAJT-LLVKDONJSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 125041566
tert-butyl 6-oxo-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-c]azepine-2-carboxylate
CID 58266862
tert-butyl (3aR,7aS)-2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129407483
tert-butyl 2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 83824814
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 4-[3,3-bis(hydroxysulfanyl)cyclobutyl]piperidine-1-carboxylate
CID 175111448
tert-butyl 4-(2,2-dichloro-3-oxocyclobutyl)piperidine-1-carboxylate
CID 155600525
tert-butyl (4aS,8aS)-8-oxo-1,3,4,4a,5,6,7,8a-octahydro-2,7-naphthyridine-2-carboxylate
CID 156559281
tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 67714075
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate;tert-butyl (1R,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 86222703

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate (CID 97300200) is tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@H]2CNC(=O)C2)CC1.
What is the InChIKey of tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is FROYIVDQMKSAJT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)11-8-12(17)15-9-11/h10-11H,4-9H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 97300200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).