formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate

C15H18N2O7 — CID 67366747

IUPACformic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate
SMILESCOC(=O)CCC(C(N)=O)N1C=C2C=CC(=O)C(O)=C2C1.O=CO
InChIInChI=1S/C14H16N2O5.CH2O2/c1-21-12(18)5-3-10(14(15)20)16-6-8-2-4-11(17)13(19)9(8)7-16;2-1-3/h2,4,6,10,19H,3,5,7H2,1H3,(H2,15,20);1H,(H,2,3)
InChIKeyONLYAFVOZXRVFB-UHFFFAOYSA-N
MW338.32 g/mol
LogP-0.36
Rot. Bonds5

About formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate

formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate (PubChem CID 67366747) has the molecular formula C15H18N2O7 and a molecular weight of 338.32 g/mol. Its IUPAC name is formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate.

Molecular Properties

Compound Nameformic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate
PubChem CID67366747
Molecular FormulaC15H18N2O7
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC Nameformic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate
SMILESCOC(=O)CCC(C(N)=O)N1C=C2C=CC(=O)C(O)=C2C1.O=CO
InChIInChI=1S/C14H16N2O5.CH2O2/c1-21-12(18)5-3-10(14(15)20)16-6-8-2-4-11(17)13(19)9(8)7-16;2-1-3/h2,4,6,10,19H,3,5,7H2,1H3,(H2,15,20);1H,(H,2,3)
InChIKeyONLYAFVOZXRVFB-UHFFFAOYSA-N
XLogP-0.36
TPSA147.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The IUPAC name of formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate (CID 67366747) is formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate.
What is the SMILES notation for formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The canonical SMILES for formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate is COC(=O)CCC(C(N)=O)N1C=C2C=CC(=O)C(O)=C2C1.O=CO.
What is the InChIKey of formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
The InChIKey is ONLYAFVOZXRVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5.CH2O2/c1-21-12(18)5-3-10(14(15)20)16-6-8-2-4-11(17)13(19)9(8)7-16;2-1-3/h2,4,6,10,19H,3,5,7H2,1H3,(H2,15,20);1H,(H,2,3).
What are the key properties of formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate?
formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate has a molecular weight of 338.32 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methyl 5-amino-4-(7-hydroxy-6-oxo-1H-isoindol-2-yl)-5-oxopentanoate is sourced from PubChem (CID 67366747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).