2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate

C14H25NO3 — CID 89484518

IUPAC2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,11-7-4-3-5-8-11)18-13(17)15-10-6-9-12(15)16/h11-12,16H,3-10H2,1-2H3
InChIKeyFOQLMVOLZMVOMI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.90
Rot. Bonds2

About 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate

2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate (PubChem CID 89484518) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate
PubChem CID89484518
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-14(2,11-7-4-3-5-8-11)18-13(17)15-10-6-9-12(15)16/h11-12,16H,3-10H2,1-2H3
InChIKeyFOQLMVOLZMVOMI-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate (CID 89484518) is 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate is CC(C)(OC(=O)N1CCCC1O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate?
The InChIKey is FOQLMVOLZMVOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,11-7-4-3-5-8-11)18-13(17)15-10-6-9-12(15)16/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate?
2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 89484518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).