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

C13H18N2O4 — CID 18729366

IUPACmethyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C1(c2cc(C)no2)CC1
InChIInChI=1S/C13H18N2O4/c1-8-7-10(19-14-8)13(5-6-13)12(17)15(3)9(2)11(16)18-4/h7,9H,5-6H2,1-4H3
InChIKeyWJBWYXOUUPUIRQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.03
Rot. Bonds4

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

methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 18729366) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate
PubChem CID18729366
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C1(c2cc(C)no2)CC1
InChIInChI=1S/C13H18N2O4/c1-8-7-10(19-14-8)13(5-6-13)12(17)15(3)9(2)11(16)18-4/h7,9H,5-6H2,1-4H3
InChIKeyWJBWYXOUUPUIRQ-UHFFFAOYSA-N
XLogP1.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate (CID 18729366) is methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate is COC(=O)C(C)N(C)C(=O)C1(c2cc(C)no2)CC1.
What is the InChIKey of methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is WJBWYXOUUPUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-7-10(19-14-8)13(5-6-13)12(17)15(3)9(2)11(16)18-4/h7,9H,5-6H2,1-4H3.
What are the key properties of methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate?
methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 266.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 18729366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).