propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate

C15H26N2O3 — CID 121282178

IUPACpropan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1(NC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-12(2)20-13(18)15(8-4-3-5-9-15)16-14(19)17-10-6-7-11-17/h12H,3-11H2,1-2H3,(H,16,19)
InChIKeyGGKBHFNWSIDVBI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.45
Rot. Bonds3

About propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate

propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate (PubChem CID 121282178) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate
PubChem CID121282178
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namepropan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1(NC(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-12(2)20-13(18)15(8-4-3-5-9-15)16-14(19)17-10-6-7-11-17/h12H,3-11H2,1-2H3,(H,16,19)
InChIKeyGGKBHFNWSIDVBI-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate (CID 121282178) is propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate is CC(C)OC(=O)C1(NC(=O)N2CCCC2)CCCCC1.
What is the InChIKey of propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate?
The InChIKey is GGKBHFNWSIDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(2)20-13(18)15(8-4-3-5-9-15)16-14(19)17-10-6-7-11-17/h12H,3-11H2,1-2H3,(H,16,19).
What are the key properties of propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate?
propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 121282178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).