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

C13H18ClNO3 — CID 54899208

IUPAC2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
SMILESCCCN(CCOc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C13H18ClNO3/c1-2-7-15(10-13(16)17)8-9-18-12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeySYKILWQCCONIQI-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.52
Rot. Bonds8

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

2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid (PubChem CID 54899208) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
PubChem CID54899208
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
SMILESCCCN(CCOc1ccccc1Cl)CC(=O)O
InChIInChI=1S/C13H18ClNO3/c1-2-7-15(10-13(16)17)8-9-18-12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeySYKILWQCCONIQI-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
2-[2-(2-chlorophenoxy)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258602
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
2-[2-(dimethylamino)ethyl-[2-(2-methoxyphenoxy)ethyl]amino]acetic acid
CID 107425771
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
2-[2-(2-bromo-4-chlorophenoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 63645272
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid (CID 54899208) is 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid is CCCN(CCOc1ccccc1Cl)CC(=O)O.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid?
The InChIKey is SYKILWQCCONIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-7-15(10-13(16)17)8-9-18-12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid?
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid has a molecular weight of 271.74 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid is sourced from PubChem (CID 54899208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).