methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate

C15H25NO5 — CID 21353677

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate
SMILESC=CCCC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H25NO5/c1-6-7-8-11(17)9-10-12(13(18)20-5)16-14(19)21-15(2,3)4/h6,12H,1,7-10H2,2-5H3,(H,16,19)
InChIKeyOGGFNGDWUXJJRC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds8

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate (PubChem CID 21353677) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate
PubChem CID21353677
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate
SMILESC=CCCC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H25NO5/c1-6-7-8-11(17)9-10-12(13(18)20-5)16-14(19)21-15(2,3)4/h6,12H,1,7-10H2,2-5H3,(H,16,19)
InChIKeyOGGFNGDWUXJJRC-UHFFFAOYSA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enoxybutanoate
CID 175182678
methyl (2R)-3-but-3-enoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 124706060
methyl 5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 85196754
methyl 4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14394149
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylpropanoate
CID 131884948
methyl (2R)-6-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
CID 178106028
methyl 4-ethylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 144836207
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412
methyl (2R,5R)-5-hydroxy-7-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-6-enoate
CID 24813413
dimethyl (4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enylpentanedioate
CID 88989959

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate (CID 21353677) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate is C=CCCC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate?
The InChIKey is OGGFNGDWUXJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-6-7-8-11(17)9-10-12(13(18)20-5)16-14(19)21-15(2,3)4/h6,12H,1,7-10H2,2-5H3,(H,16,19).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate has a molecular weight of 299.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxonon-8-enoate is sourced from PubChem (CID 21353677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).