ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid

C10H19NO7 — CID 175346803

IUPACethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.OC1CCOC1O
InChIInChI=1S/C4H8O3.C3H7NO2.C3H4O2/c5-3-1-2-7-4(3)6;1-2-6-3(4)5;1-2-3(4)5/h3-6H,1-2H2;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyFPLYFAXCGBSYSE-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.56
Rot. Bonds2

About ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid

ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid (PubChem CID 175346803) has the molecular formula C10H19NO7 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid.

Molecular Properties

Compound Nameethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid
PubChem CID175346803
Molecular FormulaC10H19NO7
Molecular Weight265.26 g/mol
Exact Mass265.12
IUPAC Nameethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid
SMILESC=CC(=O)O.CCOC(N)=O.OC1CCOC1O
InChIInChI=1S/C4H8O3.C3H7NO2.C3H4O2/c5-3-1-2-7-4(3)6;1-2-6-3(4)5;1-2-3(4)5/h3-6H,1-2H2;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyFPLYFAXCGBSYSE-UHFFFAOYSA-N
XLogP-0.56
TPSA139.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.56
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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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid?
The IUPAC name of ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid (CID 175346803) is ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid.
What is the SMILES notation for ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid?
The canonical SMILES for ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid is C=CC(=O)O.CCOC(N)=O.OC1CCOC1O.
What is the InChIKey of ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid?
The InChIKey is FPLYFAXCGBSYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H7NO2.C3H4O2/c5-3-1-2-7-4(3)6;1-2-6-3(4)5;1-2-3(4)5/h3-6H,1-2H2;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5).
What are the key properties of ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid?
ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid has a molecular weight of 265.26 g/mol, XLogP of -0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;oxolane-2,3-diol;prop-2-enoic acid is sourced from PubChem (CID 175346803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).