2-[2-(4-chlorophenoxy)propylamino]acetic acid

C11H14ClNO3 — CID 10356287

IUPAC2-[2-(4-chlorophenoxy)propylamino]acetic acid
SMILESCC(CNCC(=O)O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyNDKMRSPIBYXZSP-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)propylamino]acetic acid

2-[2-(4-chlorophenoxy)propylamino]acetic acid (PubChem CID 10356287) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propylamino]acetic acid
PubChem CID10356287
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-[2-(4-chlorophenoxy)propylamino]acetic acid
SMILESCC(CNCC(=O)O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15)
InChIKeyNDKMRSPIBYXZSP-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenoxy)propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propylamino]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)propylamino]acetic acid (CID 10356287) is 2-[2-(4-chlorophenoxy)propylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propylamino]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propylamino]acetic acid is CC(CNCC(=O)O)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propylamino]acetic acid?
The InChIKey is NDKMRSPIBYXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-chlorophenoxy)propylamino]acetic acid?
2-[2-(4-chlorophenoxy)propylamino]acetic acid has a molecular weight of 243.69 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)propylamino]acetic acid is sourced from PubChem (CID 10356287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).