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

C11H21N3O3 — CID 66758447

IUPACtert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C(N)=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-5-8(7-14)13(4)9(12)15/h8H,5-7H2,1-4H3,(H2,12,15)
InChIKeyYZOPQCGUCKBLPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.01
Rot. Bonds1

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

tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate (PubChem CID 66758447) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
PubChem CID66758447
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
SMILESCN(C(N)=O)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-5-8(7-14)13(4)9(12)15/h8H,5-7H2,1-4H3,(H2,12,15)
InChIKeyYZOPQCGUCKBLPE-UHFFFAOYSA-N
XLogP1.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 3-[[(2S)-2-aminopropanoyl]-methylamino]pyrrolidine-1-carboxylate
CID 66564091
tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
CID 173143855
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
tert-butyl 3-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate
CID 155390564
tert-butyl (3R)-3-[[(2S)-2-aminopropanoyl]-methylamino]piperidine-1-carboxylate
CID 66564098
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate (CID 66758447) is tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate is CN(C(N)=O)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is YZOPQCGUCKBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-5-8(7-14)13(4)9(12)15/h8H,5-7H2,1-4H3,(H2,12,15).
What are the key properties of tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 66758447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).