2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid

C15H18O4 — CID 70602858

IUPAC2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1(C(C)C(=O)O)CC1c1ccccc1
InChIInChI=1S/C15H18O4/c1-9(13(16)17)15(10(2)14(18)19)8-12(15)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEAXWFLMZZDYMY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid

2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid (PubChem CID 70602858) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
PubChem CID70602858
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1(C(C)C(=O)O)CC1c1ccccc1
InChIInChI=1S/C15H18O4/c1-9(13(16)17)15(10(2)14(18)19)8-12(15)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOEAXWFLMZZDYMY-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid?
The IUPAC name of 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid (CID 70602858) is 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid.
What is the SMILES notation for 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid?
The canonical SMILES for 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid is CC(C(=O)O)C1(C(C)C(=O)O)CC1c1ccccc1.
What is the InChIKey of 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid?
The InChIKey is OEAXWFLMZZDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9(13(16)17)15(10(2)14(18)19)8-12(15)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid?
2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-carboxyethyl)-2-phenylcyclopropyl]propanoic acid is sourced from PubChem (CID 70602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).