methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate

C10H18O5 — CID 101083366

IUPACmethyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(O)CC1(C(C)C)OCCO1
InChIInChI=1S/C10H18O5/c1-7(2)10(14-4-5-15-10)6-8(11)9(12)13-3/h7-8,11H,4-6H2,1-3H3
InChIKeyAHZZAZXWRXWOHI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds4

About methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate

methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate (PubChem CID 101083366) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate
PubChem CID101083366
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate
SMILESCOC(=O)C(O)CC1(C(C)C)OCCO1
InChIInChI=1S/C10H18O5/c1-7(2)10(14-4-5-15-10)6-8(11)9(12)13-3/h7-8,11H,4-6H2,1-3H3
InChIKeyAHZZAZXWRXWOHI-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate 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-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
CID 21121189
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
methyl 2-methyl-5-(2-methyloxiran-2-yl)pentanoate
CID 162405794
methyl (2R)-3-(1,3-dioxetan-2-yl)-2-hydroxypropanoate
CID 89008625
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
methyl 2-hydroxypentanoate
CID 543619
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 2-hydroxy-3-[(2R)-oxolan-2-yl]propanoate
CID 67130803

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate (CID 101083366) is methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate is COC(=O)C(O)CC1(C(C)C)OCCO1.
What is the InChIKey of methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is AHZZAZXWRXWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(2)10(14-4-5-15-10)6-8(11)9(12)13-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate?
methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-propan-2-yl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 101083366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).