1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid

C15H18N2O3 — CID 115448717

IUPAC1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESNCC1(C(=O)N2CC(C(=O)O)c3ccccc32)CCC1
InChIInChI=1S/C15H18N2O3/c16-9-15(6-3-7-15)14(20)17-8-11(13(18)19)10-4-1-2-5-12(10)17/h1-2,4-5,11H,3,6-9,16H2,(H,18,19)
InChIKeyPGTAPCVIAJKQLP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 115448717) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID115448717
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESNCC1(C(=O)N2CC(C(=O)O)c3ccccc32)CCC1
InChIInChI=1S/C15H18N2O3/c16-9-15(6-3-7-15)14(20)17-8-11(13(18)19)10-4-1-2-5-12(10)17/h1-2,4-5,11H,3,6-9,16H2,(H,18,19)
InChIKeyPGTAPCVIAJKQLP-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513768
1-(5-amino-2-methylpentanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 115867162
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564871
1-(4-amino-3-methyloxolane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564903
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 115448717) is 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid is NCC1(C(=O)N2CC(C(=O)O)c3ccccc32)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is PGTAPCVIAJKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-9-15(6-3-7-15)14(20)17-8-11(13(18)19)10-4-1-2-5-12(10)17/h1-2,4-5,11H,3,6-9,16H2,(H,18,19).
What are the key properties of 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 115448717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).