methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate

C11H14N2O3 — CID 115174424

IUPACmethyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-13(10(14)6-11(15)16-2)8-9-4-3-5-12-7-9/h3-5,7H,6,8H2,1-2H3
InChIKeySULGWKNTHNUEOH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds4

About methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate

methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate (PubChem CID 115174424) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
PubChem CID115174424
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H14N2O3/c1-13(10(14)6-11(15)16-2)8-9-4-3-5-12-7-9/h3-5,7H,6,8H2,1-2H3
InChIKeySULGWKNTHNUEOH-UHFFFAOYSA-N
XLogP0.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate?
The IUPAC name of methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate (CID 115174424) is methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate is COC(=O)CC(=O)N(C)Cc1cccnc1.
What is the InChIKey of methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate?
The InChIKey is SULGWKNTHNUEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(10(14)6-11(15)16-2)8-9-4-3-5-12-7-9/h3-5,7H,6,8H2,1-2H3.
What are the key properties of methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate?
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate has a molecular weight of 222.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate is sourced from PubChem (CID 115174424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).