2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate

C10H16O8 — CID 87085707

IUPAC2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H10O3.C4H6O5/c1-5(2)6(8)9-4-3-7;5-2(4(8)9)1-3(6)7/h7H,1,3-4H2,2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyMVCBMGPCJURDQF-UHFFFAOYSA-N
MW264.23 g/mol
LogP-1.00
Rot. Bonds6

About 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate

2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 87085707) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID87085707
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H10O3.C4H6O5/c1-5(2)6(8)9-4-3-7;5-2(4(8)9)1-3(6)7/h7H,1,3-4H2,2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyMVCBMGPCJURDQF-UHFFFAOYSA-N
XLogP-1.00
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate (CID 87085707) is 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is MVCBMGPCJURDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H6O5/c1-5(2)6(8)9-4-3-7;5-2(4(8)9)1-3(6)7/h7H,1,3-4H2,2H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate?
2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 264.23 g/mol, XLogP of -1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).