tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate

C19H27NO5 — CID 90730266

IUPACtert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
SMILESCCc1cc(C(=O)OC)ccc1OC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H27NO5/c1-6-13-11-14(17(21)23-5)7-8-16(13)24-15-9-10-20(12-15)18(22)25-19(2,3)4/h7-8,11,15H,6,9-10,12H2,1-5H3
InChIKeyIQNSJWQSUULEEW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate

tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate (PubChem CID 90730266) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
PubChem CID90730266
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nametert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
SMILESCCc1cc(C(=O)OC)ccc1OC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H27NO5/c1-6-13-11-14(17(21)23-5)7-8-16(13)24-15-9-10-20(12-15)18(22)25-19(2,3)4/h7-8,11,15H,6,9-10,12H2,1-5H3
InChIKeyIQNSJWQSUULEEW-UHFFFAOYSA-N
XLogP3.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(2-bromo-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 122634557
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl (3S)-3-[4-methoxycarbonyl-2-(1-methylpyrazol-4-yl)phenoxy]pyrrolidine-1-carboxylate
CID 166087432
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
tert-butyl 3-[1-(4-methoxycarbonylphenyl)piperidin-4-yl]oxypyrrolidine-1-carboxylate
CID 155212132
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl 4-(2-ethyl-4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130211477
tert-butyl (3S)-3-(2-methoxycarbothioyl-5-methylphenoxy)pyrrolidine-1-carboxylate
CID 91353543
tert-butyl 3-[2-bromo-4-(phenacylamino)phenoxy]pyrrolidine-1-carboxylate
CID 122634579
tert-butyl (3S)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 126674607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate (CID 90730266) is tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate is CCc1cc(C(=O)OC)ccc1OC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate?
The InChIKey is IQNSJWQSUULEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-6-13-11-14(17(21)23-5)7-8-16(13)24-15-9-10-20(12-15)18(22)25-19(2,3)4/h7-8,11,15H,6,9-10,12H2,1-5H3.
What are the key properties of tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 90730266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).