1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride

C15H20ClN3O2 — CID 75513768

IUPAC1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(C(=O)CC2(N)CCC2)c2ccccc21
InChIInChI=1S/C15H19N3O2.ClH/c16-14(20)11-9-18(12-5-2-1-4-10(11)12)13(19)8-15(17)6-3-7-15;/h1-2,4-5,11H,3,6-9,17H2,(H2,16,20);1H
InChIKeySOCJQZIBUVABQC-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.30
Rot. Bonds3

About 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride

1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride (PubChem CID 75513768) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
PubChem CID75513768
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(C(=O)CC2(N)CCC2)c2ccccc21
InChIInChI=1S/C15H19N3O2.ClH/c16-14(20)11-9-18(12-5-2-1-4-10(11)12)13(19)8-15(17)6-3-7-15;/h1-2,4-5,11H,3,6-9,17H2,(H2,16,20);1H
InChIKeySOCJQZIBUVABQC-UHFFFAOYSA-N
XLogP1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513766
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 115448717
2-(1-hydroxycyclopentyl)-1-(3-methyl-2,3-dihydroindol-1-yl)ethanone
CID 111536713
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-[3-(2,4-dimethylphenyl)propanoyl]-2,3-dihydroindole-3-carboxamide
CID 75371606
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557268
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride (CID 75513768) is 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride is Cl.NC(=O)C1CN(C(=O)CC2(N)CCC2)c2ccccc21.
What is the InChIKey of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
The InChIKey is SOCJQZIBUVABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-14(20)11-9-18(12-5-2-1-4-10(11)12)13(19)8-15(17)6-3-7-15;/h1-2,4-5,11H,3,6-9,17H2,(H2,16,20);1H.
What are the key properties of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride?
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 75513768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).