tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate

C17H27N3O2 — CID 71633239

IUPACtert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
SMILESCC(c1ccccn1)N(C)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(15-8-6-7-10-18-15)19(5)14-9-11-20(12-14)16(21)22-17(2,3)4/h6-8,10,13-14H,9,11-12H2,1-5H3
InChIKeyLCYMQQMRCPFCAX-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate (PubChem CID 71633239) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
PubChem CID71633239
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
SMILESCC(c1ccccn1)N(C)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(15-8-6-7-10-18-15)19(5)14-9-11-20(12-14)16(21)22-17(2,3)4/h6-8,10,13-14H,9,11-12H2,1-5H3
InChIKeyLCYMQQMRCPFCAX-UHFFFAOYSA-N
XLogP3.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
CID 71633691
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(1S)-1-pyridin-2-ylethyl]piperazine-2-carboxylic acid
CID 129460310
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 71633609
tert-butyl (3S)-3-[methyl-(3-nitro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71646778
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate (CID 71633239) is tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate is CC(c1ccccn1)N(C)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is LCYMQQMRCPFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(15-8-6-7-10-18-15)19(5)14-9-11-20(12-14)16(21)22-17(2,3)4/h6-8,10,13-14H,9,11-12H2,1-5H3.
What are the key properties of tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).