6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane

C18H26N2O5 — CID 158816585

IUPAC6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane
SMILESC.C.CC(C)(N)C(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O5.2CH4/c1-16(2,17)12(19)8-7-11(15(22)23)18-13(20)9-5-3-4-6-10(9)14(18)21;;/h3-6,11H,7-8,17H2,1-2H3,(H,22,23);2*1H4
InChIKeyIVIRJAKRACUWPU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.09
Rot. Bonds6

About 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane

6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane (PubChem CID 158816585) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane.

Molecular Properties

Compound Name6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane
PubChem CID158816585
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane
SMILESC.C.CC(C)(N)C(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O5.2CH4/c1-16(2,17)12(19)8-7-11(15(22)23)18-13(20)9-5-3-4-6-10(9)14(18)21;;/h3-6,11H,7-8,17H2,1-2H3,(H,22,23);2*1H4
InChIKeyIVIRJAKRACUWPU-UHFFFAOYSA-N
XLogP2.09
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-2,2,7-trimethyl-6-oxooctan-3-yl)isoindole-1,3-dione
CID 20633738
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 18640718
2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 19812261
2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
CID 130960815
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methoxybutanoic acid
CID 102042590
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoic acid
CID 604114
(2R)-3-[[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]disulfanyl]-2-(1,3-dioxoisoindol-2-yl)propanoic acid
CID 11970104
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950
2-(1,3-dioxoisoindol-2-yl)-5-oxohexanoyl chloride
CID 22959420
2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid
CID 6454915
(2S)-3-(3,6-ditert-butylcarbazol-9-yl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
CID 177377861

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane?
The IUPAC name of 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane (CID 158816585) is 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane.
What is the SMILES notation for 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane?
The canonical SMILES for 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane is C.C.CC(C)(N)C(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane?
The InChIKey is IVIRJAKRACUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5.2CH4/c1-16(2,17)12(19)8-7-11(15(22)23)18-13(20)9-5-3-4-6-10(9)14(18)21;;/h3-6,11H,7-8,17H2,1-2H3,(H,22,23);2*1H4.
What are the key properties of 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane?
6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane has a molecular weight of 350.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1,3-dioxoisoindol-2-yl)-6-methyl-5-oxoheptanoic acid;methane is sourced from PubChem (CID 158816585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).