2-(N-acetylanilino)propanoic acid

C11H13NO3 — CID 11842278

IUPAC2-(N-acetylanilino)propanoic acid
SMILESCC(=O)N(c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)
InChIKeyOGRDVTGIBRIYAG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds3

About 2-(N-acetylanilino)propanoic acid

2-(N-acetylanilino)propanoic acid (PubChem CID 11842278) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(N-acetylanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-acetylanilino)propanoic acid
PubChem CID11842278
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(N-acetylanilino)propanoic acid
SMILESCC(=O)N(c1ccccc1)C(C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)
InChIKeyOGRDVTGIBRIYAG-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)propanoic acid?
The IUPAC name of 2-(N-acetylanilino)propanoic acid (CID 11842278) is 2-(N-acetylanilino)propanoic acid.
What is the SMILES notation for 2-(N-acetylanilino)propanoic acid?
The canonical SMILES for 2-(N-acetylanilino)propanoic acid is CC(=O)N(c1ccccc1)C(C)C(=O)O.
What is the InChIKey of 2-(N-acetylanilino)propanoic acid?
The InChIKey is OGRDVTGIBRIYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2-(N-acetylanilino)propanoic acid?
2-(N-acetylanilino)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)propanoic acid is sourced from PubChem (CID 11842278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).