methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate

C18H16N2O5 — CID 162913235

IUPACmethyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@]1(OC)Nc2ccccc2C1=O
InChIInChI=1S/C18H16N2O5/c1-24-16(22)12-8-4-5-9-13(12)19-17(23)18(25-2)15(21)11-7-3-6-10-14(11)20-18/h3-10,20H,1-2H3,(H,19,23)/t18-/m0/s1
InChIKeyDWUUEFPETVAASH-SFHVURJKSA-N
MW340.34 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate

methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate (PubChem CID 162913235) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate
PubChem CID162913235
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@]1(OC)Nc2ccccc2C1=O
InChIInChI=1S/C18H16N2O5/c1-24-16(22)12-8-4-5-9-13(12)19-17(23)18(25-2)15(21)11-7-3-6-10-14(11)20-18/h3-10,20H,1-2H3,(H,19,23)/t18-/m0/s1
InChIKeyDWUUEFPETVAASH-SFHVURJKSA-N
XLogP2.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
CID 63121892
methyl 3-oxo-2-(1H-pyrrol-2-yl)-1H-indole-2-carboxylate
CID 139554600
methyl 2-[[(1S,4R)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50938495
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41493726
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
methyl 2-[[2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242058
methyl 2-[[2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242057

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate (CID 162913235) is methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@]1(OC)Nc2ccccc2C1=O.
What is the InChIKey of methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate?
The InChIKey is DWUUEFPETVAASH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-16(22)12-8-4-5-9-13(12)19-17(23)18(25-2)15(21)11-7-3-6-10-14(11)20-18/h3-10,20H,1-2H3,(H,19,23)/t18-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate?
methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-methoxy-3-oxo-1H-indole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 162913235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).