(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid

C13H16O5 — CID 86327385

IUPAC(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)c1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C13H16O5/c1-13(2,3)18-12(17)9-6-4-8(5-7-9)10(14)11(15)16/h4-7,10,14H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyGLCNFWQJPDOWAQ-SNVBAGLBSA-N
MW252.27 g/mol
LogP1.76
Rot. Bonds3

About (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid

(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid (PubChem CID 86327385) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
PubChem CID86327385
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)c1ccc([C@@H](O)C(=O)O)cc1
InChIInChI=1S/C13H16O5/c1-13(2,3)18-12(17)9-6-4-8(5-7-9)10(14)11(15)16/h4-7,10,14H,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyGLCNFWQJPDOWAQ-SNVBAGLBSA-N
XLogP1.76
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-bromoethyl)benzoate
CID 67484052
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CID 70440346
tert-butyl 4-[(1R)-1-aminoethyl]benzoate;hydrochloride
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CID 162139404
CID 162139404
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
tert-butyl 4-[amino(benzoyloxy)methyl]benzoate
CID 66966812
tert-butyl 4-(2,2,5-trimethylhexan-3-yl)benzoate
CID 130350629
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]benzoate
CID 67396235
tert-butyl 4-(4-acetylphenyl)benzoate
CID 143956110
tert-butyl 4-(dimethylcarbamoyl)benzoate
CID 138647687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid (CID 86327385) is (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid is CC(C)(C)OC(=O)c1ccc([C@@H](O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
The InChIKey is GLCNFWQJPDOWAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16O5/c1-13(2,3)18-12(17)9-6-4-8(5-7-9)10(14)11(15)16/h4-7,10,14H,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid?
(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid is sourced from PubChem (CID 86327385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).