2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate

C9H17NO5 — CID 175781994

IUPAC2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.NC(=O)C(O)CO
InChIInChI=1S/C6H10O2.C3H7NO3/c1-4-8-6(7)5(2)3;4-3(7)2(6)1-5/h2,4H2,1,3H3;2,5-6H,1H2,(H2,4,7)
InChIKeyQTHDJPCLIYIWAY-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.05
Rot. Bonds4

About 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate

2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate (PubChem CID 175781994) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate
PubChem CID175781994
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.NC(=O)C(O)CO
InChIInChI=1S/C6H10O2.C3H7NO3/c1-4-8-6(7)5(2)3;4-3(7)2(6)1-5/h2,4H2,1,3H3;2,5-6H,1H2,(H2,4,7)
InChIKeyQTHDJPCLIYIWAY-UHFFFAOYSA-N
XLogP-1.05
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethyl 2-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate (CID 175781994) is 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.NC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate?
The InChIKey is QTHDJPCLIYIWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H7NO3/c1-4-8-6(7)5(2)3;4-3(7)2(6)1-5/h2,4H2,1,3H3;2,5-6H,1H2,(H2,4,7).
What are the key properties of 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate?
2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate has a molecular weight of 219.24 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanamide;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).