propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate

C12H20N2O3 — CID 167784848

IUPACpropan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
SMILESCC(C)OC(=O)CCn1cnc(CCCO)c1
InChIInChI=1S/C12H20N2O3/c1-10(2)17-12(16)5-6-14-8-11(13-9-14)4-3-7-15/h8-10,15H,3-7H2,1-2H3
InChIKeyMGCNPUAOKFWIKS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds7

About propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate

propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate (PubChem CID 167784848) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
PubChem CID167784848
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namepropan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate
SMILESCC(C)OC(=O)CCn1cnc(CCCO)c1
InChIInChI=1S/C12H20N2O3/c1-10(2)17-12(16)5-6-14-8-11(13-9-14)4-3-7-15/h8-10,15H,3-7H2,1-2H3
InChIKeyMGCNPUAOKFWIKS-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate?
The IUPAC name of propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate (CID 167784848) is propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate is CC(C)OC(=O)CCn1cnc(CCCO)c1.
What is the InChIKey of propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate?
The InChIKey is MGCNPUAOKFWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(2)17-12(16)5-6-14-8-11(13-9-14)4-3-7-15/h8-10,15H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate?
propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate has a molecular weight of 240.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-(3-hydroxypropyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 167784848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).