propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate

C15H28N2O4 — CID 176601470

IUPACpropan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CCN(COC=O)C(C)C)N1
InChIInChI=1S/C15H28N2O4/c1-11(2)17(9-20-10-18)8-7-13-5-6-14(16-13)15(19)21-12(3)4/h10-14,16H,5-9H2,1-4H3
InChIKeyBJFFGCCOOOTKKS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.29
Rot. Bonds9

About propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate

propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate (PubChem CID 176601470) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
PubChem CID176601470
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namepropan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CCN(COC=O)C(C)C)N1
InChIInChI=1S/C15H28N2O4/c1-11(2)17(9-20-10-18)8-7-13-5-6-14(16-13)15(19)21-12(3)4/h10-14,16H,5-9H2,1-4H3
InChIKeyBJFFGCCOOOTKKS-UHFFFAOYSA-N
XLogP1.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate (CID 176601470) is propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate is CC(C)OC(=O)C1CCC(CCN(COC=O)C(C)C)N1.
What is the InChIKey of propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
The InChIKey is BJFFGCCOOOTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)17(9-20-10-18)8-7-13-5-6-14(16-13)15(19)21-12(3)4/h10-14,16H,5-9H2,1-4H3.
What are the key properties of propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate?
propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176601470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).