(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate

C14H25NO3 — CID 61276842

IUPAC(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H25NO3/c1-3-10-6-4-5-7-13(10)18-14(16)12-8-11(17-2)9-15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyBAVIGCRWKZVLET-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds4

About (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate

(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate (PubChem CID 61276842) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
PubChem CID61276842
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
SMILESCCC1CCCCC1OC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H25NO3/c1-3-10-6-4-5-7-13(10)18-14(16)12-8-11(17-2)9-15-12/h10-13,15H,3-9H2,1-2H3
InChIKeyBAVIGCRWKZVLET-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate (CID 61276842) is (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate is CCC1CCCCC1OC(=O)C1CC(OC)CN1.
What is the InChIKey of (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The InChIKey is BAVIGCRWKZVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-10-6-4-5-7-13(10)18-14(16)12-8-11(17-2)9-15-12/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 61276842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).