2-methylpropyl 2,3-dihydroxypropanoate

C7H14O4 — CID 87068517

IUPAC2-methylpropyl 2,3-dihydroxypropanoate
SMILESCC(C)COC(=O)C(O)CO
InChIInChI=1S/C7H14O4/c1-5(2)4-11-7(10)6(9)3-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyADDNSYGOPBYDCG-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.46
Rot. Bonds4

About 2-methylpropyl 2,3-dihydroxypropanoate

2-methylpropyl 2,3-dihydroxypropanoate (PubChem CID 87068517) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-methylpropyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name2-methylpropyl 2,3-dihydroxypropanoate
PubChem CID87068517
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-methylpropyl 2,3-dihydroxypropanoate
SMILESCC(C)COC(=O)C(O)CO
InChIInChI=1S/C7H14O4/c1-5(2)4-11-7(10)6(9)3-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyADDNSYGOPBYDCG-UHFFFAOYSA-N
XLogP-0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,3-dihydroxypropanoate?
The IUPAC name of 2-methylpropyl 2,3-dihydroxypropanoate (CID 87068517) is 2-methylpropyl 2,3-dihydroxypropanoate.
What is the SMILES notation for 2-methylpropyl 2,3-dihydroxypropanoate?
The canonical SMILES for 2-methylpropyl 2,3-dihydroxypropanoate is CC(C)COC(=O)C(O)CO.
What is the InChIKey of 2-methylpropyl 2,3-dihydroxypropanoate?
The InChIKey is ADDNSYGOPBYDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(2)4-11-7(10)6(9)3-8/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-methylpropyl 2,3-dihydroxypropanoate?
2-methylpropyl 2,3-dihydroxypropanoate has a molecular weight of 162.18 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 87068517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).