(2S)-2-cyclopropyloxy-2-phenylacetic acid

C11H12O3 — CID 167014814

IUPAC(2S)-2-cyclopropyloxy-2-phenylacetic acid
SMILESO=C(O)[C@@H](OC1CC1)c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)10(14-9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyHXWBERAVPHJKGS-JTQLQIEISA-N
MW192.21 g/mol
LogP1.99
Rot. Bonds4

About (2S)-2-cyclopropyloxy-2-phenylacetic acid

(2S)-2-cyclopropyloxy-2-phenylacetic acid (PubChem CID 167014814) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S)-2-cyclopropyloxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyloxy-2-phenylacetic acid
PubChem CID167014814
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2S)-2-cyclopropyloxy-2-phenylacetic acid
SMILESO=C(O)[C@@H](OC1CC1)c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(13)10(14-9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyHXWBERAVPHJKGS-JTQLQIEISA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
(2R)-2-cyclopentyloxy-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 95601607
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
2-phenyl-2-piperidin-3-yloxyacetamide
CID 102567779
(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
CID 119367577
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
2-cyclopentyloxy-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 111332884
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
2-[9-[carboxy(phenyl)methoxy]-9-oxononanoyl]oxy-2-phenylacetic acid
CID 101455888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyloxy-2-phenylacetic acid?
The IUPAC name of (2S)-2-cyclopropyloxy-2-phenylacetic acid (CID 167014814) is (2S)-2-cyclopropyloxy-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-cyclopropyloxy-2-phenylacetic acid?
The canonical SMILES for (2S)-2-cyclopropyloxy-2-phenylacetic acid is O=C(O)[C@@H](OC1CC1)c1ccccc1.
What is the InChIKey of (2S)-2-cyclopropyloxy-2-phenylacetic acid?
The InChIKey is HXWBERAVPHJKGS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)10(14-9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-cyclopropyloxy-2-phenylacetic acid?
(2S)-2-cyclopropyloxy-2-phenylacetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyloxy-2-phenylacetic acid is sourced from PubChem (CID 167014814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).