methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate

C11H14N2O3 — CID 115174756

IUPACmethyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)C(=O)Nc1ccccn1
InChIInChI=1S/C11H14N2O3/c1-11(2,10(15)16-3)9(14)13-8-6-4-5-7-12-8/h4-7H,1-3H3,(H,12,13,14)
InChIKeyAICBSRKLEOLMEG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.22
Rot. Bonds3

About methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate

methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate (PubChem CID 115174756) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
PubChem CID115174756
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
SMILESCOC(=O)C(C)(C)C(=O)Nc1ccccn1
InChIInChI=1S/C11H14N2O3/c1-11(2,10(15)16-3)9(14)13-8-6-4-5-7-12-8/h4-7H,1-3H3,(H,12,13,14)
InChIKeyAICBSRKLEOLMEG-UHFFFAOYSA-N
XLogP1.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
methyl 2,2-dimethyl-3-oxo-3-(pyridin-4-ylamino)propanoate
CID 115174758
3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
CID 71672608
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-methyl-2-(1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100830098
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-pyridin-2-ylpropanamide
CID 58860966

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate (CID 115174756) is methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate is COC(=O)C(C)(C)C(=O)Nc1ccccn1.
What is the InChIKey of methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
The InChIKey is AICBSRKLEOLMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,10(15)16-3)9(14)13-8-6-4-5-7-12-8/h4-7H,1-3H3,(H,12,13,14).
What are the key properties of methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate?
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate has a molecular weight of 222.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate is sourced from PubChem (CID 115174756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).