methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate

C12H16N2O3 — CID 112729455

IUPACmethyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccncc1
InChIInChI=1S/C12H16N2O3/c1-14(9-12(16)17-2)11(15)4-3-10-5-7-13-8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyLKVKVQPZWHPGII-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.65
Rot. Bonds5

About methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate

methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate (PubChem CID 112729455) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
PubChem CID112729455
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCc1ccncc1
InChIInChI=1S/C12H16N2O3/c1-14(9-12(16)17-2)11(15)4-3-10-5-7-13-8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyLKVKVQPZWHPGII-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

methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-[2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetyl]phenoxy]acetate
CID 70111165
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-[2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetyl]phenoxy]acetate;3-pyridin-4-ylpropanoic acid
CID 70111164
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
CID 43409176
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
CID 60713044
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate (CID 112729455) is methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate is COC(=O)CN(C)C(=O)CCc1ccncc1.
What is the InChIKey of methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The InChIKey is LKVKVQPZWHPGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(9-12(16)17-2)11(15)4-3-10-5-7-13-8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate?
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)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 methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate is sourced from PubChem (CID 112729455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).