methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate

C11H14N2O2 — CID 116857371

IUPACmethyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
SMILESCOC(=O)C(NC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-2-3-9)8-4-6-12-7-5-8/h4-7,9-10,13H,2-3H2,1H3
InChIKeyGYILBRQTLIGRNJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate

methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate (PubChem CID 116857371) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
PubChem CID116857371
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
SMILESCOC(=O)C(NC1CC1)c1ccncc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-2-3-9)8-4-6-12-7-5-8/h4-7,9-10,13H,2-3H2,1H3
InChIKeyGYILBRQTLIGRNJ-UHFFFAOYSA-N
XLogP1.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655
methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
CID 116857352

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate (CID 116857371) is methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate is COC(=O)C(NC1CC1)c1ccncc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate?
The InChIKey is GYILBRQTLIGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10(13-9-2-3-9)8-4-6-12-7-5-8/h4-7,9-10,13H,2-3H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate?
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate has a molecular weight of 206.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate is sourced from PubChem (CID 116857371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).