methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate

C14H13NO5 — CID 10492618

IUPACmethyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
SMILESCOC(=O)C(C)OC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NO5/c1-8(13(17)19-2)20-14(18)12(16)10-7-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3
InChIKeyPNSNCCNTNPEYSZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate

methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate (PubChem CID 10492618) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
PubChem CID10492618
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
SMILESCOC(=O)C(C)OC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NO5/c1-8(13(17)19-2)20-14(18)12(16)10-7-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3
InChIKeyPNSNCCNTNPEYSZ-UHFFFAOYSA-N
XLogP1.46
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10760570
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8790821
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate?
The IUPAC name of methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate (CID 10492618) is methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate.
What is the SMILES notation for methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate?
The canonical SMILES for methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate is COC(=O)C(C)OC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate?
The InChIKey is PNSNCCNTNPEYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8(13(17)19-2)20-14(18)12(16)10-7-15-11-6-4-3-5-9(10)11/h3-8,15H,1-2H3.
What are the key properties of methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate?
methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate has a molecular weight of 275.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate is sourced from PubChem (CID 10492618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).