3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate

C14H24N2O4 — CID 118272075

IUPAC3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1)C(C)OC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O4/c1-11(19-13(17)15-7-3-4-8-15)12(2)20-14(18)16-9-5-6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyCJZMXIQEEJDXHR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.23
Rot. Bonds3

About 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate

3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate (PubChem CID 118272075) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
PubChem CID118272075
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
SMILESCC(OC(=O)N1CCCC1)C(C)OC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O4/c1-11(19-13(17)15-7-3-4-8-15)12(2)20-14(18)16-9-5-6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyCJZMXIQEEJDXHR-UHFFFAOYSA-N
XLogP2.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
(1-iodo-2,2-dimethylpropyl) pyrrolidine-1-carboxylate
CID 169006679
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
[cyano(hydroxy)methyl] pyrrolidine-1-carboxylate
CID 177108036
[(1R)-1-chloro-2-oxoethyl] pyrrolidine-1-carboxylate
CID 175450453

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate?
The IUPAC name of 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate (CID 118272075) is 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate?
The canonical SMILES for 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate is CC(OC(=O)N1CCCC1)C(C)OC(=O)N1CCCC1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate?
The InChIKey is CJZMXIQEEJDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(19-13(17)15-7-3-4-8-15)12(2)20-14(18)16-9-5-6-10-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate?
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 118272075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).