3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid

C18H20N4O3 — CID 166303690

IUPAC3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid
SMILESCC(C)Cn1ccc2cc(NC(=O)Cn3cncc3C(=O)O)ccc21
InChIInChI=1S/C18H20N4O3/c1-12(2)9-21-6-5-13-7-14(3-4-15(13)21)20-17(23)10-22-11-19-8-16(22)18(24)25/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyPUASSWORECENPU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.83
Rot. Bonds6

About 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid

3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid (PubChem CID 166303690) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid
PubChem CID166303690
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid
SMILESCC(C)Cn1ccc2cc(NC(=O)Cn3cncc3C(=O)O)ccc21
InChIInChI=1S/C18H20N4O3/c1-12(2)9-21-6-5-13-7-14(3-4-15(13)21)20-17(23)10-22-11-19-8-16(22)18(24)25/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyPUASSWORECENPU-UHFFFAOYSA-N
XLogP2.83
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid with MolForge

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Related Compounds

N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide
CID 75490351
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
2-[5-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]indol-1-yl]acetic acid
CID 119235395
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide
CID 71884844
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid (CID 166303690) is 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid is CC(C)Cn1ccc2cc(NC(=O)Cn3cncc3C(=O)O)ccc21.
What is the InChIKey of 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid?
The InChIKey is PUASSWORECENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(2)9-21-6-5-13-7-14(3-4-15(13)21)20-17(23)10-22-11-19-8-16(22)18(24)25/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid?
3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 166303690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).