methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate

C12H16N2O3 — CID 54997473

IUPACmethyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C12H16N2O3/c1-14(8-5-12(16)17-2)11(15)9-10-3-6-13-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyNGIZJBBBLDTCTR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.65
Rot. Bonds5

About methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate

methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate (PubChem CID 54997473) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
PubChem CID54997473
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C12H16N2O3/c1-14(8-5-12(16)17-2)11(15)9-10-3-6-13-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyNGIZJBBBLDTCTR-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 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
CID 55882942
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
methyl 4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]butanoate
CID 61460661

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate (CID 54997473) is methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate is COC(=O)CCN(C)C(=O)Cc1ccncc1.
What is the InChIKey of methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate?
The InChIKey is NGIZJBBBLDTCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(8-5-12(16)17-2)11(15)9-10-3-6-13-7-4-10/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate?
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate 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 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate is sourced from PubChem (CID 54997473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).