tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

C17H30N2O4 — CID 75448497

IUPACtert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)C1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)CCO1
InChIInChI=1S/C17H30N2O4/c1-12(2)14-11-18(8-9-22-14)15(20)13-6-7-19(10-13)16(21)23-17(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyOXJICGUFVUQOEV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 75448497) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
PubChem CID75448497
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)C1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)CCO1
InChIInChI=1S/C17H30N2O4/c1-12(2)14-11-18(8-9-22-14)15(20)13-6-7-19(10-13)16(21)23-17(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyOXJICGUFVUQOEV-UHFFFAOYSA-N
XLogP2.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]pyrrolidine-1-carboxylate
CID 95635211
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl 3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 163346934
tert-butyl 3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 69136429
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
CID 171593485
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate (CID 75448497) is tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is CC(C)C1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)CCO1.
What is the InChIKey of tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is OXJICGUFVUQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-12(2)14-11-18(8-9-22-14)15(20)13-6-7-19(10-13)16(21)23-17(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 75448497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).