1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid

C26H30N2O7 — CID 66701664

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C(Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)n1cccc(C(=O)O)c1=O
InChIInChI=1S/C26H30N2O7/c1-25(2,3)34-23(32)20(27-13-9-11-18(21(27)29)22(30)31)14-16-15-28(24(33)35-26(4,5)6)19-12-8-7-10-17(16)19/h7-13,15,20H,14H2,1-6H3,(H,30,31)
InChIKeyFINLRDCILRBHJM-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.41
Rot. Bonds5

About 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid (PubChem CID 66701664) has the molecular formula C26H30N2O7 and a molecular weight of 482.53 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid
PubChem CID66701664
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)C(Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)n1cccc(C(=O)O)c1=O
InChIInChI=1S/C26H30N2O7/c1-25(2,3)34-23(32)20(27-13-9-11-18(21(27)29)22(30)31)14-16-15-28(24(33)35-26(4,5)6)19-12-8-7-10-17(16)19/h7-13,15,20H,14H2,1-6H3,(H,30,31)
InChIKeyFINLRDCILRBHJM-UHFFFAOYSA-N
XLogP4.41
TPSA116.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
(2R)-2-(methylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 175887125
tert-butyl 3-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]indole-1-carboxylate
CID 155637501
tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674957
tert-butyl formate;tert-butyl 3-(2-methylpropyl)indole-1-carboxylate
CID 142373045
tert-butyl 3-(2-formamidopropyl)indole-1-carboxylate
CID 166490368
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]indole-1-carboxylate
CID 171397275
(2S)-2-[formyl(methyl)amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
CID 166490237
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-2-tritylsulfanylpropanoic acid
CID 69213730

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid (CID 66701664) is 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)C(Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)n1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is FINLRDCILRBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O7/c1-25(2,3)34-23(32)20(27-13-9-11-18(21(27)29)22(30)31)14-16-15-28(24(33)35-26(4,5)6)19-12-8-7-10-17(16)19/h7-13,15,20H,14H2,1-6H3,(H,30,31).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 482.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66701664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).