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

C14H26N2O4 — CID 176601139

IUPACpropan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CN(COC=O)C(C)C)N1
InChIInChI=1S/C14H26N2O4/c1-10(2)16(8-19-9-17)7-12-5-6-13(15-12)14(18)20-11(3)4/h9-13,15H,5-8H2,1-4H3
InChIKeyYJJPSWMCWOAVMV-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.90
Rot. Bonds8

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

propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate (PubChem CID 176601139) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
PubChem CID176601139
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namepropan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CN(COC=O)C(C)C)N1
InChIInChI=1S/C14H26N2O4/c1-10(2)16(8-19-9-17)7-12-5-6-13(15-12)14(18)20-11(3)4/h9-13,15H,5-8H2,1-4H3
InChIKeyYJJPSWMCWOAVMV-UHFFFAOYSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.90
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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Related Compounds

propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 176601470
trimethyl-[2-[propan-2-yl-[(5-propan-2-yloxycarbonylpyrrolidin-2-yl)methyl]amino]ethyl]azanium
CID 176601097
trimethyl-[2-[propan-2-yl-[2-(5-propan-2-yloxycarbonylpyrrolidin-2-yl)ethyl]amino]ethyl]azanium
CID 176601276
5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
CID 176601096
2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate
CID 176601875
[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
CID 176601662
5-[[cyclobutyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
CID 176601593
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate (CID 176601139) is propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate is CC(C)OC(=O)C1CCC(CN(COC=O)C(C)C)N1.
What is the InChIKey of propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The InChIKey is YJJPSWMCWOAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)16(8-19-9-17)7-12-5-6-13(15-12)14(18)20-11(3)4/h9-13,15H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176601139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).