5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid

C15H19N3O4 — CID 118071490

IUPAC5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
SMILESCNC(=O)NCC(C)c1c(C(=O)O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H19N3O4/c1-8(7-17-15(21)16-2)12-10-6-9(22-3)4-5-11(10)18-13(12)14(19)20/h4-6,8,18H,7H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyNBNXLDANCKGKAJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.91
Rot. Bonds5

About 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid

5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid (PubChem CID 118071490) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
PubChem CID118071490
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid
SMILESCNC(=O)NCC(C)c1c(C(=O)O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H19N3O4/c1-8(7-17-15(21)16-2)12-10-6-9(22-3)4-5-11(10)18-13(12)14(19)20/h4-6,8,18H,7H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyNBNXLDANCKGKAJ-UHFFFAOYSA-N
XLogP1.91
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(1-carboxypropan-2-yl)-6-methoxy-1H-indole-2-carboxylic acid
CID 22163900
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
3-[2-(ethylcarbamoylamino)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 118071542
5-methoxy-3-propan-2-yloxy-1H-indole-2-carboxamide
CID 10753063
methyl 3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 44597418
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755
N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid (CID 118071490) is 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid is CNC(=O)NCC(C)c1c(C(=O)O)[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid?
The InChIKey is NBNXLDANCKGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8(7-17-15(21)16-2)12-10-6-9(22-3)4-5-11(10)18-13(12)14(19)20/h4-6,8,18H,7H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid?
5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(methylcarbamoylamino)propan-2-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 118071490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).