tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate

C17H26N2O3 — CID 177219731

IUPACtert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
SMILESCOC(C)(c1ccccn1)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)19-12-8-10-14(19)17(4,21-5)13-9-6-7-11-18-13/h6-7,9,11,14H,8,10,12H2,1-5H3/t14-,17?/m1/s1
InChIKeyJCYYNNAQZPWQOA-XPCCGILXSA-N
MW306.41 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate (PubChem CID 177219731) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
PubChem CID177219731
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
SMILESCOC(C)(c1ccccn1)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)19-12-8-10-14(19)17(4,21-5)13-9-6-7-11-18-13/h6-7,9,11,14H,8,10,12H2,1-5H3/t14-,17?/m1/s1
InChIKeyJCYYNNAQZPWQOA-XPCCGILXSA-N
XLogP3.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(2-pyridin-2-ylacetyl)pyrrolidine-1-carboxylate
CID 93481126
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl (2R)-2-(pyridin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 86326222
tert-butyl (2S)-2-pyridin-2-ylsulfanylcarbonylpyrrolidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158451373
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
tert-butyl (2S)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 101333766
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate (CID 177219731) is tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate is COC(C)(c1ccccn1)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
The InChIKey is JCYYNNAQZPWQOA-XPCCGILXSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)19-12-8-10-14(19)17(4,21-5)13-9-6-7-11-18-13/h6-7,9,11,14H,8,10,12H2,1-5H3/t14-,17?/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 177219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).