dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate

C17H21NO7 — CID 154719068

IUPACdimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate
SMILESCOCOCC[C@]1(C(C(=O)OC)C(=O)OC)C(=O)Nc2ccccc21
InChIInChI=1S/C17H21NO7/c1-22-10-25-9-8-17(13(14(19)23-2)15(20)24-3)11-6-4-5-7-12(11)18-16(17)21/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyHSPYNFMRODKZCW-KRWDZBQOSA-N
MW351.36 g/mol
LogP0.85
Rot. Bonds8

About dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate

dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate (PubChem CID 154719068) has the molecular formula C17H21NO7 and a molecular weight of 351.36 g/mol. Its IUPAC name is dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate
PubChem CID154719068
Molecular FormulaC17H21NO7
Molecular Weight351.36 g/mol
Exact Mass351.13
IUPAC Namedimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate
SMILESCOCOCC[C@]1(C(C(=O)OC)C(=O)OC)C(=O)Nc2ccccc21
InChIInChI=1S/C17H21NO7/c1-22-10-25-9-8-17(13(14(19)23-2)15(20)24-3)11-6-4-5-7-12(11)18-16(17)21/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyHSPYNFMRODKZCW-KRWDZBQOSA-N
XLogP0.85
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
3-acetyl-3-(2-ethoxyethyl)-1H-indol-2-one
CID 13287103
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
ethane;3-(2-ethoxyethyl)-3-methyl-1H-indol-2-one;ethyl propanoate
CID 143412746
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 628737
CID 146949857
CID 146949857
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
methyl 3-(3-chloro-2-oxo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 540030
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[(3R)-2-oxo-3-phenyl-1H-indol-3-yl]propanoate
CID 102412348

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate?
The IUPAC name of dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate (CID 154719068) is dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate is COCOCC[C@]1(C(C(=O)OC)C(=O)OC)C(=O)Nc2ccccc21.
What is the InChIKey of dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate?
The InChIKey is HSPYNFMRODKZCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO7/c1-22-10-25-9-8-17(13(14(19)23-2)15(20)24-3)11-6-4-5-7-12(11)18-16(17)21/h4-7,13H,8-10H2,1-3H3,(H,18,21)/t17-/m0/s1.
What are the key properties of dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate?
dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate has a molecular weight of 351.36 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3R)-3-[2-(methoxymethoxy)ethyl]-2-oxo-1H-indol-3-yl]propanedioate is sourced from PubChem (CID 154719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).