ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate

C14H22N2O3 — CID 63985132

IUPACethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OC)n1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-5-19-14(17)10-16(11(2)3)9-12-7-6-8-13(15-12)18-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyJYRHIGXHYINGBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds7

About ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate

ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate (PubChem CID 63985132) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
PubChem CID63985132
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OC)n1)C(C)C
InChIInChI=1S/C14H22N2O3/c1-5-19-14(17)10-16(11(2)3)9-12-7-6-8-13(15-12)18-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyJYRHIGXHYINGBL-UHFFFAOYSA-N
XLogP1.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
3-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 63986878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate (CID 63985132) is ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1cccc(OC)n1)C(C)C.
What is the InChIKey of ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The InChIKey is JYRHIGXHYINGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-19-14(17)10-16(11(2)3)9-12-7-6-8-13(15-12)18-4/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 63985132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).