1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid

C14H17N3O4 — CID 80564755

IUPAC1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyICUJVOXQJXHLDZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds3

About 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564755) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564755
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyICUJVOXQJXHLDZ-UHFFFAOYSA-N
XLogP0.52
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid (CID 80564755) is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid is CNC(=O)C(C)NC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is ICUJVOXQJXHLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).