2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid

C17H23NO3 — CID 63918658

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
SMILESCCc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C17H23NO3/c1-2-12-5-3-4-6-15(12)21-11-17(16(19)20,13-7-8-13)18-14-9-10-14/h3-6,13-14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyXPMIYCZJFUWLSL-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.61
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid (PubChem CID 63918658) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
PubChem CID63918658
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid
SMILESCCc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C17H23NO3/c1-2-12-5-3-4-6-15(12)21-11-17(16(19)20,13-7-8-13)18-14-9-10-14/h3-6,13-14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyXPMIYCZJFUWLSL-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63921694
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]propanoic acid
CID 103404934
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid (CID 63918658) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid is CCc1ccccc1OCC(NC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid?
The InChIKey is XPMIYCZJFUWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-12-5-3-4-6-15(12)21-11-17(16(19)20,13-7-8-13)18-14-9-10-14/h3-6,13-14,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-ethylphenoxy)propanoic acid is sourced from PubChem (CID 63918658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).