tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate

C13H24N2O3 — CID 123504782

IUPACtert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCN(C=O)CCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-8-5-6-11(15)7-9-14(4)10-16/h10-11H,5-9H2,1-4H3
InChIKeyRGIWBSDWBAKOBL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.86
Rot. Bonds4

About tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 123504782) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID123504782
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCN(C=O)CCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-8-5-6-11(15)7-9-14(4)10-16/h10-11H,5-9H2,1-4H3
InChIKeyRGIWBSDWBAKOBL-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl (2R)-2-(9-oxononyl)pyrrolidine-1-carboxylate
CID 162403053
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate (CID 123504782) is tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate is CN(C=O)CCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is RGIWBSDWBAKOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-8-5-6-11(15)7-9-14(4)10-16/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 123504782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).