tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate

C13H24N2O3 — CID 165474933

IUPACtert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-6-13(14,9-15)10-5-4-8-17-10/h10H,4-9,14H2,1-3H3
InChIKeyLPOBTFFJAODEGY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.50
Rot. Bonds1

About tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 165474933) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate
PubChem CID165474933
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-6-13(14,9-15)10-5-4-8-17-10/h10H,4-9,14H2,1-3H3
InChIKeyLPOBTFFJAODEGY-UHFFFAOYSA-N
XLogP1.50
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-4-(oxolan-2-yl)piperidine-1-carboxylate
CID 165474931
(4aR)-6-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylic acid
CID 138109764
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
(4aS,8aR)-6-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylic acid;hydrochloride
CID 163335439
6-O-tert-butyl 4a-O-ethyl (4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a,6-dicarboxylate
CID 124556089
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate (CID 165474933) is tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(C2CCCO2)C1.
What is the InChIKey of tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is LPOBTFFJAODEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-6-13(14,9-15)10-5-4-8-17-10/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(oxolan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 165474933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).