2-oxopropyl 2-(methylamino)benzoate

C11H13NO3 — CID 954263

IUPAC2-oxopropyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(C)=O
InChIInChI=1S/C11H13NO3/c1-8(13)7-15-11(14)9-5-3-4-6-10(9)12-2/h3-6,12H,7H2,1-2H3
InChIKeyDVVRESTXOABXSY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.47
Rot. Bonds4

About 2-oxopropyl 2-(methylamino)benzoate

2-oxopropyl 2-(methylamino)benzoate (PubChem CID 954263) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-oxopropyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-oxopropyl 2-(methylamino)benzoate
PubChem CID954263
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-oxopropyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(C)=O
InChIInChI=1S/C11H13NO3/c1-8(13)7-15-11(14)9-5-3-4-6-10(9)12-2/h3-6,12H,7H2,1-2H3
InChIKeyDVVRESTXOABXSY-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(methylamino)benzoate?
The IUPAC name of 2-oxopropyl 2-(methylamino)benzoate (CID 954263) is 2-oxopropyl 2-(methylamino)benzoate.
What is the SMILES notation for 2-oxopropyl 2-(methylamino)benzoate?
The canonical SMILES for 2-oxopropyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(C)=O.
What is the InChIKey of 2-oxopropyl 2-(methylamino)benzoate?
The InChIKey is DVVRESTXOABXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)7-15-11(14)9-5-3-4-6-10(9)12-2/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-oxopropyl 2-(methylamino)benzoate?
2-oxopropyl 2-(methylamino)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(methylamino)benzoate is sourced from PubChem (CID 954263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).