ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate

C12H16N2O3 — CID 55003377

IUPACethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)9-14(2)11(15)8-10-6-4-5-7-13-10/h4-7H,3,8-9H2,1-2H3
InChIKeyNCZRNWLZSPHIAJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.65
Rot. Bonds5

About ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate

ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate (PubChem CID 55003377) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
PubChem CID55003377
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)9-14(2)11(15)8-10-6-4-5-7-13-10/h4-7H,3,8-9H2,1-2H3
InChIKeyNCZRNWLZSPHIAJ-UHFFFAOYSA-N
XLogP0.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylacetamide
CID 62681126
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
ethyl acetate;2-pyridin-2-ylacetic acid
CID 70044808
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
CID 160612270
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
ethyl 2-[[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-(pyridin-2-ylmethyl)amino]acetate
CID 142301368
triethoxysilylmethyl 2-pyridin-2-ylacetate
CID 68838862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate (CID 55003377) is ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate is CCOC(=O)CN(C)C(=O)Cc1ccccn1.
What is the InChIKey of ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate?
The InChIKey is NCZRNWLZSPHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(16)9-14(2)11(15)8-10-6-4-5-7-13-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate?
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate has a molecular weight of 236.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate is sourced from PubChem (CID 55003377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).