2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid

C14H16ClNO4 — CID 60826398

IUPAC2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-1-2-4-12(11)20-8-7-13(17)16(9-14(18)19)10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyASDXYGWFJFHTNB-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid

2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid (PubChem CID 60826398) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
PubChem CID60826398
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-1-2-4-12(11)20-8-7-13(17)16(9-14(18)19)10-5-6-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyASDXYGWFJFHTNB-UHFFFAOYSA-N
XLogP2.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]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

Related Compounds

3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102635543
3-[3-(2,3-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750558
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[3-(2-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817927
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid (CID 60826398) is 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)CCOc1ccccc1Cl)C1CC1.
What is the InChIKey of 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid?
The InChIKey is ASDXYGWFJFHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-3-1-2-4-12(11)20-8-7-13(17)16(9-14(18)19)10-5-6-10/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid?
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 60826398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).