tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate

C13H24N2O2 — CID 172577300

IUPACtert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14-4)11(15)9-5-6-9/h9-11,14H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyMXUCZTDDCVBRRP-GHMZBOCLSA-N
MW240.35 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate

tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 172577300) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
PubChem CID172577300
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
SMILESCN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14-4)11(15)9-5-6-9/h9-11,14H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyMXUCZTDDCVBRRP-GHMZBOCLSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 160788675
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tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
CID 84804762
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl (1R,5R,6S)-6-phenyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 178086462
1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
CID 83866843

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate (CID 172577300) is tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate is CN[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C1CC1.
What is the InChIKey of tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is MXUCZTDDCVBRRP-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14-4)11(15)9-5-6-9/h9-11,14H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate?
tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 172577300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).