but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate

C10H16O5 — CID 87377367

IUPACbut-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O.C=CCC(=O)O
InChIInChI=1S/C6H10O3.C4H6O2/c1-4(2)6(8)9-5(3)7;1-2-3-4(5)6/h5,7H,1H2,2-3H3;2H,1,3H2,(H,5,6)
InChIKeyOLFPIEKZHJAFKN-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.09
Rot. Bonds4

About but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate

but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 87377367) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebut-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
PubChem CID87377367
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namebut-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O.C=CCC(=O)O
InChIInChI=1S/C6H10O3.C4H6O2/c1-4(2)6(8)9-5(3)7;1-2-3-4(5)6/h5,7H,1H2,2-3H3;2H,1,3H2,(H,5,6)
InChIKeyOLFPIEKZHJAFKN-UHFFFAOYSA-N
XLogP1.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
but-3-enoic acid;ethene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 175778855
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
CID 139906170
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate (CID 87377367) is but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)O.C=CCC(=O)O.
What is the InChIKey of but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is OLFPIEKZHJAFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H6O2/c1-4(2)6(8)9-5(3)7;1-2-3-4(5)6/h5,7H,1H2,2-3H3;2H,1,3H2,(H,5,6).
What are the key properties of but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate?
but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87377367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).