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

C11H16N2O2 — CID 62006867

IUPACmethyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
SMILESCOC(=O)CN(c1ccncc1)C(C)C
InChIInChI=1S/C11H16N2O2/c1-9(2)13(8-11(14)15-3)10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyBBJNCZGBQQQIDB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.47
Rot. Bonds4

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

methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate (PubChem CID 62006867) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
PubChem CID62006867
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
SMILESCOC(=O)CN(c1ccncc1)C(C)C
InChIInChI=1S/C11H16N2O2/c1-9(2)13(8-11(14)15-3)10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyBBJNCZGBQQQIDB-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
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methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
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methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
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methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
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methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
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methyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 55007044
methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
methyl 2-[propan-2-yl(1H-pyrazole-5-carbonyl)amino]acetate
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methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
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methyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-propan-2-ylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate (CID 62006867) is methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate is COC(=O)CN(c1ccncc1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate?
The InChIKey is BBJNCZGBQQQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(2)13(8-11(14)15-3)10-4-6-12-7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate?
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate has a molecular weight of 208.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate is sourced from PubChem (CID 62006867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).