tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate

C17H26N2O3 — CID 71633691

IUPACtert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(OCC1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C17H26N2O3/c1-13(15-7-5-6-9-18-15)21-12-14-8-10-19(11-14)16(20)22-17(2,3)4/h5-7,9,13-14H,8,10-12H2,1-4H3
InChIKeyPEWVSCBGMLYDPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 71633691) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID71633691
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(OCC1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1
InChIInChI=1S/C17H26N2O3/c1-13(15-7-5-6-9-18-15)21-12-14-8-10-19(11-14)16(20)22-17(2,3)4/h5-7,9,13-14H,8,10-12H2,1-4H3
InChIKeyPEWVSCBGMLYDPX-UHFFFAOYSA-N
XLogP3.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 4-[3-[(1R)-1-pyridin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176060
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175851
tert-butyl (3R)-3-[(2-oxo-2-pyridin-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 97171364
tert-butyl 3-[(1-pyridin-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 71633609
tert-butyl 3-[methyl(1-pyridin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633239
2-[1-(cyclopropylmethoxy)ethyl]pyridine
CID 21278985
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate (CID 71633691) is tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate is CC(OCC1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1.
What is the InChIKey of tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is PEWVSCBGMLYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(15-7-5-6-9-18-15)21-12-14-8-10-19(11-14)16(20)22-17(2,3)4/h5-7,9,13-14H,8,10-12H2,1-4H3.
What are the key properties of tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-pyridin-2-ylethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).