methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate

C12H18N2O3 — CID 18682356

IUPACmethyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(C2(N)CCCC2)o1
InChIInChI=1S/C12H18N2O3/c1-16-10(15)5-4-9-8-14-11(17-9)12(13)6-2-3-7-12/h8H,2-7,13H2,1H3
InChIKeyRWECYBOUFUYVLF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.51
Rot. Bonds4

About methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate

methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate (PubChem CID 18682356) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate
PubChem CID18682356
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(C2(N)CCCC2)o1
InChIInChI=1S/C12H18N2O3/c1-16-10(15)5-4-9-8-14-11(17-9)12(13)6-2-3-7-12/h8H,2-7,13H2,1H3
InChIKeyRWECYBOUFUYVLF-UHFFFAOYSA-N
XLogP1.51
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate (CID 18682356) is methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate is COC(=O)CCc1cnc(C2(N)CCCC2)o1.
What is the InChIKey of methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate?
The InChIKey is RWECYBOUFUYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-10(15)5-4-9-8-14-11(17-9)12(13)6-2-3-7-12/h8H,2-7,13H2,1H3.
What are the key properties of methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate?
methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-aminocyclopentyl)-1,3-oxazol-5-yl]propanoate is sourced from PubChem (CID 18682356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).