tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate

C11H20N2O3 — CID 173143855

IUPACtert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-9(7-13)12(4)8-14/h8-9H,5-7H2,1-4H3
InChIKeyPMVIQRIPJNACTR-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.08
Rot. Bonds2

About tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate (PubChem CID 173143855) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
PubChem CID173143855
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-9(7-13)12(4)8-14/h8-9H,5-7H2,1-4H3
InChIKeyPMVIQRIPJNACTR-UHFFFAOYSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.08
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

methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl 3-[[(2S)-2-aminopropanoyl]-methylamino]pyrrolidine-1-carboxylate
CID 66564091
tert-butyl (3R)-3-oxaldehydoylpyrrolidine-1-carboxylate
CID 171085787
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl 3-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate
CID 155390564
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl (3R)-3-[[(2S)-2-aminopropanoyl]-methylamino]piperidine-1-carboxylate
CID 66564098
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S)-3-[(2-formylbenzoyl)-methylamino]pyrrolidine-1-carboxylate
CID 144738571
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate (CID 173143855) is tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate is CN(C=O)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is PMVIQRIPJNACTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-5-9(7-13)12(4)8-14/h8-9H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173143855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).