tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate

C15H27N3O3 — CID 106638538

IUPACtert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNCC1CCC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(18)10-16-9-11-6-7-13(19)17-11/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyPVXDFNXXVLDBGN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.25
Rot. Bonds4

About tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 106638538) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID106638538
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CNCC1CCC(=O)N1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(18)10-16-9-11-6-7-13(19)17-11/h11-12,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyPVXDFNXXVLDBGN-UHFFFAOYSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-tert-Butyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 21080215
tert-butyl (S)-2-carbamoylpyrrolidine-1-carboxylate
CID 7019053
tert-butyl (2S)-2-[(cyanomethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11514361
D-1-N-Boc-prolinamide
CID 2756826
1,1-Dimethylethyl 2-(aminocarbonyl)-1-pyrrolidinecarboxylate
CID 3016886
tert-Butyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 49760540
tert-Butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-Butyl 8-oxo-2,7-diazaspiro(4.4)nonane-2-carboxylate
CID 57416984
tert-butyl 5-[3-carbamoyl-1-[1,3-dicarbamoyl-(1S)-propylcarbamoyl]-(1S)-propylcarbamoyl]-(5R)-dihydro-1H-1-pyrrolecarboxylate
CID 15755332
N-tert-Butyloxycarbonyl-prolyl-alanyl-alanyl-methylamide
CID 128236
tert-butyl (2S)-2-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate
CID 677832
tert-butyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
CID 21681641

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate (CID 106638538) is tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CNCC1CCC(=O)N1.
What is the InChIKey of tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is PVXDFNXXVLDBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(18)10-16-9-11-6-7-13(19)17-11/h11-12,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 106638538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).