2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid

C13H16ClNO3 — CID 54945677

IUPAC2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CCOc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H16ClNO3/c14-10-1-5-12(6-2-10)18-8-7-15(9-13(16)17)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17)
InChIKeyAKQKGIBGVAPLMO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.27
Rot. Bonds7

About 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid

2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid (PubChem CID 54945677) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
PubChem CID54945677
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CCOc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H16ClNO3/c14-10-1-5-12(6-2-10)18-8-7-15(9-13(16)17)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17)
InChIKeyAKQKGIBGVAPLMO-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 60911429
2-[cyclopropyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]acetic acid
CID 60835313
2-[2-(3-bromophenoxy)ethyl-cyclopentylamino]acetic acid
CID 60834612
2-[2-(4-chlorophenoxy)ethyl-prop-2-ynylamino]acetic acid
CID 79284499
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974426
4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
CID 61441620
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 55182790
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
2-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952702
3-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60838351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid (CID 54945677) is 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid is O=C(O)CN(CCOc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid?
The InChIKey is AKQKGIBGVAPLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-1-5-12(6-2-10)18-8-7-15(9-13(16)17)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid?
2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid has a molecular weight of 269.73 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).