ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate

C13H20N2O2 — CID 62026995

IUPACethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccncc1)C(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)10-15(11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyYHBJCKFIPSSASQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.86
Rot. Bonds6

About ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate

ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate (PubChem CID 62026995) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
PubChem CID62026995
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccncc1)C(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)10-15(11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyYHBJCKFIPSSASQ-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
ethyl 2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetate
CID 60697552
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
CID 54896874
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate (CID 62026995) is ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccncc1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate?
The InChIKey is YHBJCKFIPSSASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-13(16)10-15(11(2)3)9-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate?
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate is sourced from PubChem (CID 62026995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).