[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate

C15H22N2O5 — CID 146594380

IUPAC[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate
SMILESCOc1ccnc(COCN)c1OCOC(=O)C1CCCC1
InChIInChI=1S/C15H22N2O5/c1-19-13-6-7-17-12(8-20-9-16)14(13)21-10-22-15(18)11-4-2-3-5-11/h6-7,11H,2-5,8-10,16H2,1H3
InChIKeyUPNOPIRASCRDJW-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.59
Rot. Bonds8

About [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate

[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate (PubChem CID 146594380) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate
PubChem CID146594380
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate
SMILESCOc1ccnc(COCN)c1OCOC(=O)C1CCCC1
InChIInChI=1S/C15H22N2O5/c1-19-13-6-7-17-12(8-20-9-16)14(13)21-10-22-15(18)11-4-2-3-5-11/h6-7,11H,2-5,8-10,16H2,1H3
InChIKeyUPNOPIRASCRDJW-UHFFFAOYSA-N
XLogP1.59
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-O-[[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl] 1-O-methyl butanedioate
CID 146594584
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
3,4-dimethoxy-2-(pyrrolidin-3-ylmethoxymethyl)pyridine
CID 103173413
[2-(dimethylamino)-4-pyridinyl]methyl cyclopentanecarboxylate
CID 166207586
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidine-4-carbothioamide
CID 103172874
3-hydroxy-4-methoxypyridine-2-carboxamide;methyl cyclopentanecarboxylate;methyl 3-methoxypropanoate
CID 142237813
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
CID 103172005
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
[1-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-methylcyclopentyl]methanamine
CID 103171952
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate?
The IUPAC name of [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate (CID 146594380) is [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate.
What is the SMILES notation for [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate?
The canonical SMILES for [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate is COc1ccnc(COCN)c1OCOC(=O)C1CCCC1.
What is the InChIKey of [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate?
The InChIKey is UPNOPIRASCRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-19-13-6-7-17-12(8-20-9-16)14(13)21-10-22-15(18)11-4-2-3-5-11/h6-7,11H,2-5,8-10,16H2,1H3.
What are the key properties of [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate?
[2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethoxymethyl)-4-methoxy-3-pyridinyl]oxymethyl cyclopentanecarboxylate is sourced from PubChem (CID 146594380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).