2-[4-(diethylamino)anilino]acetic acid

C12H18N2O2 — CID 23454217

IUPAC2-[4-(diethylamino)anilino]acetic acid
SMILESCCN(CC)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-3-14(4-2)11-7-5-10(6-8-11)13-9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyAPTODNLYCVDKJG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-(diethylamino)anilino]acetic acid

2-[4-(diethylamino)anilino]acetic acid (PubChem CID 23454217) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]acetic acid
PubChem CID23454217
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[4-(diethylamino)anilino]acetic acid
SMILESCCN(CC)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-3-14(4-2)11-7-5-10(6-8-11)13-9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyAPTODNLYCVDKJG-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]acetic acid?
The IUPAC name of 2-[4-(diethylamino)anilino]acetic acid (CID 23454217) is 2-[4-(diethylamino)anilino]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)anilino]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)anilino]acetic acid is CCN(CC)c1ccc(NCC(=O)O)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]acetic acid?
The InChIKey is APTODNLYCVDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-14(4-2)11-7-5-10(6-8-11)13-9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(diethylamino)anilino]acetic acid?
2-[4-(diethylamino)anilino]acetic acid has a molecular weight of 222.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]acetic acid is sourced from PubChem (CID 23454217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).