methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride

C19H27ClN2O4 — CID 171712146

IUPACmethyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OC)c(CC2CCN(C(=O)C3(N)CCC3)C2)c1.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-24-16-5-4-14(17(22)25-2)11-15(16)10-13-6-9-21(12-13)18(23)19(20)7-3-8-19;/h4-5,11,13H,3,6-10,12,20H2,1-2H3;1H
InChIKeyWFPDXHKIPIXGKT-UHFFFAOYSA-N
MW382.89 g/mol
LogP2.18
Rot. Bonds5

About methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride

methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride (PubChem CID 171712146) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride
PubChem CID171712146
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Namemethyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(OC)c(CC2CCN(C(=O)C3(N)CCC3)C2)c1.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-24-16-5-4-14(17(22)25-2)11-15(16)10-13-6-9-21(12-13)18(23)19(20)7-3-8-19;/h4-5,11,13H,3,6-10,12,20H2,1-2H3;1H
InChIKeyWFPDXHKIPIXGKT-UHFFFAOYSA-N
XLogP2.18
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride with MolForge

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Related Compounds

acetic acid;[3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 171709821
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
methyl 4-methoxy-3-[[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]benzoate
CID 166623860
(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone;hydrochloride
CID 119278586
cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
CID 7175810
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119338489
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317
methyl 3-[(cyclohexylamino)methyl]-4-methoxybenzoate;hydrochloride
CID 90484155

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride (CID 171712146) is methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride is COC(=O)c1ccc(OC)c(CC2CCN(C(=O)C3(N)CCC3)C2)c1.Cl.
What is the InChIKey of methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride?
The InChIKey is WFPDXHKIPIXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4.ClH/c1-24-16-5-4-14(17(22)25-2)11-15(16)10-13-6-9-21(12-13)18(23)19(20)7-3-8-19;/h4-5,11,13H,3,6-10,12,20H2,1-2H3;1H.
What are the key properties of methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride?
methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(1-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 171712146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).