methyl 2-anilinoacetate

C9H11NO2 — CID 571509

IUPACmethyl 2-anilinoacetate
SMILESCOC(=O)CNc1ccccc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeySZJUWKPNWWCOPG-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-anilinoacetate

methyl 2-anilinoacetate (PubChem CID 571509) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-anilinoacetate.

Molecular Properties

Compound Namemethyl 2-anilinoacetate
PubChem CID571509
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-anilinoacetate
SMILESCOC(=O)CNc1ccccc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeySZJUWKPNWWCOPG-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-anilinoacetate?
The IUPAC name of methyl 2-anilinoacetate (CID 571509) is methyl 2-anilinoacetate.
What is the SMILES notation for methyl 2-anilinoacetate?
The canonical SMILES for methyl 2-anilinoacetate is COC(=O)CNc1ccccc1.
What is the InChIKey of methyl 2-anilinoacetate?
The InChIKey is SZJUWKPNWWCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)7-10-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of methyl 2-anilinoacetate?
methyl 2-anilinoacetate has a molecular weight of 165.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilinoacetate is sourced from PubChem (CID 571509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).