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

C10H14N2O2 — CID 116857149

IUPACmethyl 2-(dimethylamino)-2-pyridin-4-ylacetate
SMILESCOC(=O)C(c1ccncc1)N(C)C
InChIInChI=1S/C10H14N2O2/c1-12(2)9(10(13)14-3)8-4-6-11-7-5-8/h4-7,9H,1-3H3
InChIKeyAQXFMQWPHSLUMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.86
Rot. Bonds3

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

methyl 2-(dimethylamino)-2-pyridin-4-ylacetate (PubChem CID 116857149) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-pyridin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-pyridin-4-ylacetate
PubChem CID116857149
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-(dimethylamino)-2-pyridin-4-ylacetate
SMILESCOC(=O)C(c1ccncc1)N(C)C
InChIInChI=1S/C10H14N2O2/c1-12(2)9(10(13)14-3)8-4-6-11-7-5-8/h4-7,9H,1-3H3
InChIKeyAQXFMQWPHSLUMV-UHFFFAOYSA-N
XLogP0.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
methyl 3-methylsulfonyl-2-pyridin-4-ylpropanoate
CID 117246575
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
3-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 83618663
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
methyl (2R)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(3,4,5-trifluorophenyl)acetate
CID 97061302
3-amino-N-methyl-3-pyridin-4-ylpropanehydrazide
CID 116849287

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-pyridin-4-ylacetate?
The IUPAC name of methyl 2-(dimethylamino)-2-pyridin-4-ylacetate (CID 116857149) is methyl 2-(dimethylamino)-2-pyridin-4-ylacetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-pyridin-4-ylacetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-pyridin-4-ylacetate is COC(=O)C(c1ccncc1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-pyridin-4-ylacetate?
The InChIKey is AQXFMQWPHSLUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)9(10(13)14-3)8-4-6-11-7-5-8/h4-7,9H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-pyridin-4-ylacetate?
methyl 2-(dimethylamino)-2-pyridin-4-ylacetate has a molecular weight of 194.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-pyridin-4-ylacetate is sourced from PubChem (CID 116857149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).