tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

C21H31NO4 — CID 11726110

IUPACtert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3
InChIKeyNWKASZAWLUVLME-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.74
Rot. Bonds4

About tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 11726110) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID11726110
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Nametert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1
InChIInChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3
InChIKeyNWKASZAWLUVLME-UHFFFAOYSA-N
XLogP4.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(4-ethoxy-3-methylphenyl)pyrrolidine-1-carboxylate
CID 169498705
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
tert-butyl N-methylcarbamate;methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074579
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (CID 11726110) is tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is COc1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1.
What is the InChIKey of tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is NWKASZAWLUVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3.
What are the key properties of tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 361.48 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11726110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).