ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate

C14H22N2O3 — CID 106487661

IUPACethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate
SMILESCCOC(=O)C(CC)(CN)Cc1cccc(OC)n1
InChIInChI=1S/C14H22N2O3/c1-4-14(10-15,13(17)19-5-2)9-11-7-6-8-12(16-11)18-3/h6-8H,4-5,9-10,15H2,1-3H3
InChIKeyLWYKSDUVZNJOCS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.55
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate

ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate (PubChem CID 106487661) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate
PubChem CID106487661
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate
SMILESCCOC(=O)C(CC)(CN)Cc1cccc(OC)n1
InChIInChI=1S/C14H22N2O3/c1-4-14(10-15,13(17)19-5-2)9-11-7-6-8-12(16-11)18-3/h6-8H,4-5,9-10,15H2,1-3H3
InChIKeyLWYKSDUVZNJOCS-UHFFFAOYSA-N
XLogP1.55
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
ethyl 2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]butanoate
CID 106487524
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
2-[(6-methoxy-2-pyridinyl)methoxy]-2-methylpropan-1-amine
CID 65053443
3-(6-methoxy-2-pyridinyl)-2-methyl-2-pyrazol-1-ylpropanoic acid
CID 139017088
2-(aminomethyl)-3-(6-methoxy-2-pyridinyl)propanamide
CID 103347793
2-(4-chloropyrazol-1-yl)-3-(6-methoxy-2-pyridinyl)-2-methylpropanoic acid
CID 167825097
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
2-(aminomethyl)-1-(6-methoxy-2-pyridinyl)-2-methylbutan-1-ol
CID 103348729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate (CID 106487661) is ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate is CCOC(=O)C(CC)(CN)Cc1cccc(OC)n1.
What is the InChIKey of ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate?
The InChIKey is LWYKSDUVZNJOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(10-15,13(17)19-5-2)9-11-7-6-8-12(16-11)18-3/h6-8H,4-5,9-10,15H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate?
ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate has a molecular weight of 266.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate is sourced from PubChem (CID 106487661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).