tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate

C13H24N2O2 — CID 83851054

IUPACtert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
SMILESCC1C(NC2CC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9-11(14-10-5-6-10)7-8-15(9)12(16)17-13(2,3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyUXEJCDHBMSKHRV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate

tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate (PubChem CID 83851054) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
PubChem CID83851054
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
SMILESCC1C(NC2CC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9-11(14-10-5-6-10)7-8-15(9)12(16)17-13(2,3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyUXEJCDHBMSKHRV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl 2-methyl-3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107256682
4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 76854085
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 172577300
tert-butyl 4-[(2-methylthian-3-yl)amino]piperidine-1-carboxylate
CID 107241652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate (CID 83851054) is tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate is CC1C(NC2CC2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate?
The InChIKey is UXEJCDHBMSKHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-11(14-10-5-6-10)7-8-15(9)12(16)17-13(2,3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate?
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 83851054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).