1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

C15H24N2O4 — CID 82730998

IUPAC1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILESCN(C(=O)N1C(C(=O)O)CC2CCCCC21)C1CCOC1
InChIInChI=1S/C15H24N2O4/c1-16(11-6-7-21-9-11)15(20)17-12-5-3-2-4-10(12)8-13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyRYELXXSCYZLPDV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.54
Rot. Bonds2

About 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (PubChem CID 82730998) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
PubChem CID82730998
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILESCN(C(=O)N1C(C(=O)O)CC2CCCCC21)C1CCOC1
InChIInChI=1S/C15H24N2O4/c1-16(11-6-7-21-9-11)15(20)17-12-5-3-2-4-10(12)8-13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyRYELXXSCYZLPDV-UHFFFAOYSA-N
XLogP1.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The IUPAC name of 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (CID 82730998) is 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The canonical SMILES for 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid is CN(C(=O)N1C(C(=O)O)CC2CCCCC21)C1CCOC1.
What is the InChIKey of 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
The InChIKey is RYELXXSCYZLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-16(11-6-7-21-9-11)15(20)17-12-5-3-2-4-10(12)8-13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid?
1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxolan-3-yl)carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid is sourced from PubChem (CID 82730998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).