2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid

C13H16O3 — CID 21109018

IUPAC2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@H]1CCOc1ccccc1
InChIInChI=1S/C13H16O3/c14-13(15)9-11-8-10(11)6-7-16-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyBVGSQZOXHISERI-MNOVXSKESA-N
MW220.27 g/mol
LogP2.57
Rot. Bonds6

About 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid

2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid (PubChem CID 21109018) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
PubChem CID21109018
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@H]1CCOc1ccccc1
InChIInChI=1S/C13H16O3/c14-13(15)9-11-8-10(11)6-7-16-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyBVGSQZOXHISERI-MNOVXSKESA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
CID 142831319
7-[(3R,4S)-4-(2-phenoxyethyl)oxolan-3-yl]heptanoic acid
CID 70399750
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
2-(2-phenoxyethylamino)acetic acid
CID 13236095
2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxo-4-phenoxybut-1-enyl)cyclopentyl]acetic acid
CID 22791957
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
9-phenoxynonanoic acid
CID 15887638
3-chloro-4-(2-phenoxyethyl)thiolane
CID 83191550
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
CID 79558066
1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid (CID 21109018) is 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid is O=C(O)C[C@@H]1C[C@H]1CCOc1ccccc1.
What is the InChIKey of 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid?
The InChIKey is BVGSQZOXHISERI-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16O3/c14-13(15)9-11-8-10(11)6-7-16-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid?
2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 21109018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).