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

C14H18N2O4 — CID 62336981

IUPAC1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-9(17)8-15(2)14(20)16-6-5-10-7-11(13(18)19)3-4-12(10)16/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyXWJBJJDVTJFOMP-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.18
Rot. Bonds3

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

1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 62336981) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID62336981
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCC(O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-9(17)8-15(2)14(20)16-6-5-10-7-11(13(18)19)3-4-12(10)16/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyXWJBJJDVTJFOMP-UHFFFAOYSA-N
XLogP1.18
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.18
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-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61205326
1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61199374
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-(2,3-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-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (CID 62336981) is 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is CC(O)CN(C)C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is XWJBJJDVTJFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)8-15(2)14(20)16-6-5-10-7-11(13(18)19)3-4-12(10)16/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 62336981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).