tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate

C14H23NO4 — CID 164903673

IUPACtert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-8-11(12(15)16)18-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3
InChIKeyJESBTSOZYFAPBH-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate

tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 164903673) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate
PubChem CID164903673
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCCC2)C1=O
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-8-11(12(15)16)18-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3
InChIKeyJESBTSOZYFAPBH-UHFFFAOYSA-N
XLogP2.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
1-O-tert-butyl 3-O-ethyl (3S)-2-oxopyrrolidine-1,3-dicarboxylate
CID 92980910
tert-butyl 3-(4-methylbenzoyl)-2-oxopiperidine-1-carboxylate
CID 145068213
tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate
CID 73056648
tert-butyl 3-(4-bromobenzoyl)-2-oxopiperidine-1-carboxylate
CID 90458862
tert-butyl (3S)-3-(4-chlorophenyl)-2-oxopyrrolidine-1-carboxylate
CID 10357179
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
tert-butyl 3-(2-cyclopropyl-2-oxoethyl)-2,4-dioxopiperidine-1-carboxylate
CID 101043281
tert-butyl (3aR,7aS)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 86334648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate (CID 164903673) is tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CCCC2)C1=O.
What is the InChIKey of tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is JESBTSOZYFAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-8-11(12(15)16)18-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopentyloxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 164903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).