benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate

C12H14O4 — CID 130367556

IUPACbenzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
SMILESO=C(OCc1ccccc1)C(O)C1(O)CC1
InChIInChI=1S/C12H14O4/c13-10(12(15)6-7-12)11(14)16-8-9-4-2-1-3-5-9/h1-5,10,13,15H,6-8H2
InChIKeyXVQXMFPPUPAGKK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.62
Rot. Bonds4

About benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate

benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate (PubChem CID 130367556) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
PubChem CID130367556
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namebenzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
SMILESO=C(OCc1ccccc1)C(O)C1(O)CC1
InChIInChI=1S/C12H14O4/c13-10(12(15)6-7-12)11(14)16-8-9-4-2-1-3-5-9/h1-5,10,13,15H,6-8H2
InChIKeyXVQXMFPPUPAGKK-UHFFFAOYSA-N
XLogP0.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
benzyl 1-[1-hydroxyethyl(methyl)amino]cyclopropane-1-carboxylate
CID 123712987

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate?
The IUPAC name of benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate (CID 130367556) is benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate.
What is the SMILES notation for benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate?
The canonical SMILES for benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate is O=C(OCc1ccccc1)C(O)C1(O)CC1.
What is the InChIKey of benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate?
The InChIKey is XVQXMFPPUPAGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-10(12(15)6-7-12)11(14)16-8-9-4-2-1-3-5-9/h1-5,10,13,15H,6-8H2.
What are the key properties of benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate?
benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate is sourced from PubChem (CID 130367556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).