methyl 3-(propanoylamino)benzoate

C11H13NO3 — CID 730634

IUPACmethyl 3-(propanoylamino)benzoate
SMILESCCC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO3/c1-3-10(13)12-9-6-4-5-8(7-9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyDPKSFUXGSAGHDC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.82
Rot. Bonds3

About methyl 3-(propanoylamino)benzoate

methyl 3-(propanoylamino)benzoate (PubChem CID 730634) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 3-(propanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(propanoylamino)benzoate
PubChem CID730634
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 3-(propanoylamino)benzoate
SMILESCCC(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO3/c1-3-10(13)12-9-6-4-5-8(7-9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyDPKSFUXGSAGHDC-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(propanoylamino)benzoate?
The IUPAC name of methyl 3-(propanoylamino)benzoate (CID 730634) is methyl 3-(propanoylamino)benzoate.
What is the SMILES notation for methyl 3-(propanoylamino)benzoate?
The canonical SMILES for methyl 3-(propanoylamino)benzoate is CCC(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(propanoylamino)benzoate?
The InChIKey is DPKSFUXGSAGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-10(13)12-9-6-4-5-8(7-9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-(propanoylamino)benzoate?
methyl 3-(propanoylamino)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propanoylamino)benzoate is sourced from PubChem (CID 730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).