ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate

C12H18N2O4 — CID 82777556

IUPACethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H18N2O4/c1-2-18-11(16)7-10(15)8-13-5-6-14(12(13)17)9-3-4-9/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeySRHPPIZCJLSWGB-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.30
Rot. Bonds6

About ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate

ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate (PubChem CID 82777556) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
PubChem CID82777556
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H18N2O4/c1-2-18-11(16)7-10(15)8-13-5-6-14(12(13)17)9-3-4-9/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeySRHPPIZCJLSWGB-UHFFFAOYSA-N
XLogP0.30
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate (CID 82777556) is ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The InChIKey is SRHPPIZCJLSWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-18-11(16)7-10(15)8-13-5-6-14(12(13)17)9-3-4-9/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate has a molecular weight of 254.29 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyclopropyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82777556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).