1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid

C14H17N3O4 — CID 61199374

IUPAC1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17N3O4/c1-15-12(18)8-16(2)14(21)17-6-5-9-7-10(13(19)20)3-4-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeySYJKHSVEYXUMKZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.55
Rot. Bonds3

About 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid

1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61199374) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID61199374
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17N3O4/c1-15-12(18)8-16(2)14(21)17-6-5-9-7-10(13(19)20)3-4-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeySYJKHSVEYXUMKZ-UHFFFAOYSA-N
XLogP0.55
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 62336981
1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61205326
1-[methyl(pentan-3-yl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61201023
1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199095
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61170398

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid (CID 61199374) is 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid is CNC(=O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is SYJKHSVEYXUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(18)8-16(2)14(21)17-6-5-9-7-10(13(19)20)3-4-11(9)17/h3-4,7H,5-6,8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61199374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).