(2S)-2-acetyloxy-2-phenylacetic acid

C10H10O4 — CID 6923379

IUPAC(2S)-2-acetyloxy-2-phenylacetic acid
SMILESCC(=O)O[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOBCUSTCTKLTMBX-VIFPVBQESA-N
MW194.19 g/mol
LogP1.38
Rot. Bonds3

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

(2S)-2-acetyloxy-2-phenylacetic acid (PubChem CID 6923379) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S)-2-acetyloxy-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-acetyloxy-2-phenylacetic acid
PubChem CID6923379
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2S)-2-acetyloxy-2-phenylacetic acid
SMILESCC(=O)O[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyOBCUSTCTKLTMBX-VIFPVBQESA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-acetyloxy-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetyloxy-2-phenylacetic acid?
The IUPAC name of (2S)-2-acetyloxy-2-phenylacetic acid (CID 6923379) is (2S)-2-acetyloxy-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-acetyloxy-2-phenylacetic acid?
The canonical SMILES for (2S)-2-acetyloxy-2-phenylacetic acid is CC(=O)O[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-acetyloxy-2-phenylacetic acid?
The InChIKey is OBCUSTCTKLTMBX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-acetyloxy-2-phenylacetic acid?
(2S)-2-acetyloxy-2-phenylacetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetyloxy-2-phenylacetic acid is sourced from PubChem (CID 6923379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).