2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid

C16H23NO4 — CID 122083066

IUPAC2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
SMILESCCOc1ccc(OCCN(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-3-20-14-6-8-15(9-7-14)21-11-10-17(13-4-5-13)12(2)16(18)19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyWNFQGUCWRSAJKS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds9

About 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid

2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid (PubChem CID 122083066) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
PubChem CID122083066
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
SMILESCCOc1ccc(OCCN(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C16H23NO4/c1-3-20-14-6-8-15(9-7-14)21-11-10-17(13-4-5-13)12(2)16(18)19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyWNFQGUCWRSAJKS-UHFFFAOYSA-N
XLogP2.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
2-[cyclopropyl-[3-(3,5-dimethylphenoxy)propyl]amino]propanoic acid
CID 122083029
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
CID 60718266
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
2-[cyclopentyl-[2-(4-ethoxyphenoxy)ethyl]amino]ethanol
CID 62016041
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[methyl-[2-(4-methylsulfonylphenoxy)ethyl]amino]propanoic acid
CID 119913162

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid (CID 122083066) is 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid is CCOc1ccc(OCCN(C2CC2)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid?
The InChIKey is WNFQGUCWRSAJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-20-14-6-8-15(9-7-14)21-11-10-17(13-4-5-13)12(2)16(18)19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid is sourced from PubChem (CID 122083066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).