tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate

C14H26N2O5 — CID 130347293

IUPACtert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
SMILESCOC(OCC1CC(=O)CN1C(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-12(18)16-8-11(17)7-10(16)9-20-13(19-6)15(4)5/h10,13H,7-9H2,1-6H3
InChIKeyJFJNIIQWYJMHBN-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.07
Rot. Bonds5

About tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate

tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate (PubChem CID 130347293) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
PubChem CID130347293
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
SMILESCOC(OCC1CC(=O)CN1C(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C14H26N2O5/c1-14(2,3)21-12(18)16-8-11(17)7-10(16)9-20-13(19-6)15(4)5/h10,13H,7-9H2,1-6H3
InChIKeyJFJNIIQWYJMHBN-UHFFFAOYSA-N
XLogP1.07
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-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

tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
CID 163717064
tert-butyl 4-oxo-2-[2-(phenylmethoxycarbonylamino)ethyl]pyrrolidine-1-carboxylate
CID 67506180
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl (2R,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 164780275
tert-butyl 3-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CID 118230392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate (CID 130347293) is tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate is COC(OCC1CC(=O)CN1C(=O)OC(C)(C)C)N(C)C.
What is the InChIKey of tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate?
The InChIKey is JFJNIIQWYJMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(2,3)21-12(18)16-8-11(17)7-10(16)9-20-13(19-6)15(4)5/h10,13H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate?
tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 130347293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).