1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid

C15H18N2O3 — CID 79854015

IUPAC1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESNC1(CC(=O)N2c3ccccc3CC2C(=O)O)CCC1
InChIInChI=1S/C15H18N2O3/c16-15(6-3-7-15)9-13(18)17-11-5-2-1-4-10(11)8-12(17)14(19)20/h1-2,4-5,12H,3,6-9,16H2,(H,19,20)
InChIKeyUOKCXJBZDZCTJJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.30
Rot. Bonds3

About 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 79854015) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID79854015
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
SMILESNC1(CC(=O)N2c3ccccc3CC2C(=O)O)CCC1
InChIInChI=1S/C15H18N2O3/c16-15(6-3-7-15)9-13(18)17-11-5-2-1-4-10(11)8-12(17)14(19)20/h1-2,4-5,12H,3,6-9,16H2,(H,19,20)
InChIKeyUOKCXJBZDZCTJJ-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(3S)-2-[2-(1-aminocyclobutyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895601
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 61365066
(2S)-1-[2-(2,2,2-trifluoroethylamino)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79264391
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 83065070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid (CID 79854015) is 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid is NC1(CC(=O)N2c3ccccc3CC2C(=O)O)CCC1.
What is the InChIKey of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UOKCXJBZDZCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-15(6-3-7-15)9-13(18)17-11-5-2-1-4-10(11)8-12(17)14(19)20/h1-2,4-5,12H,3,6-9,16H2,(H,19,20).
What are the key properties of 1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 274.32 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-2-carboxylic acid is sourced from PubChem (CID 79854015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).