5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid

C10H10N2O3 — CID 174890707

IUPAC5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
SMILESNC(=O)c1ccc2c(c1)CN(C(=O)O)C2
InChIInChI=1S/C10H10N2O3/c11-9(13)6-1-2-7-4-12(10(14)15)5-8(7)3-6/h1-3H,4-5H2,(H2,11,13)(H,14,15)
InChIKeyQWTQCKNHRIOGHB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.78
Rot. Bonds1

About 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid

5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid (PubChem CID 174890707) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
PubChem CID174890707
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
SMILESNC(=O)c1ccc2c(c1)CN(C(=O)O)C2
InChIInChI=1S/C10H10N2O3/c11-9(13)6-1-2-7-4-12(10(14)15)5-8(7)3-6/h1-3H,4-5H2,(H2,11,13)(H,14,15)
InChIKeyQWTQCKNHRIOGHB-UHFFFAOYSA-N
XLogP0.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid?
The IUPAC name of 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid (CID 174890707) is 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid?
The canonical SMILES for 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid is NC(=O)c1ccc2c(c1)CN(C(=O)O)C2.
What is the InChIKey of 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid?
The InChIKey is QWTQCKNHRIOGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-9(13)6-1-2-7-4-12(10(14)15)5-8(7)3-6/h1-3H,4-5H2,(H2,11,13)(H,14,15).
What are the key properties of 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid?
5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid is sourced from PubChem (CID 174890707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).