tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate

C9H15NO3 — CID 124575955

IUPACtert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CNC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-7(11)10-5-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyHKSQEVGMABVREK-ZCFIWIBFSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds1

About tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate

tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate (PubChem CID 124575955) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
PubChem CID124575955
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nametert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CNC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-7(11)10-5-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKeyHKSQEVGMABVREK-ZCFIWIBFSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
tert-butyl cyclopropanecarboxylate
CID 157212632
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10511752
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
tert-butyl thiane-4-carboxylate
CID 118666343
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl cyclododecanecarboxylate
CID 154013086

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate (CID 124575955) is tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate is CC(C)(C)OC(=O)[C@H]1CNC(=O)C1.
What is the InChIKey of tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HKSQEVGMABVREK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-7(11)10-5-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1.
What are the key properties of tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate?
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 124575955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).