2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid

C15H16N2O4 — CID 102710800

IUPAC2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc3c(c2)CC(=O)N3)CCC1
InChIInChI=1S/C15H16N2O4/c18-12-7-10-6-9(2-3-11(10)16-12)14(21)17-15(4-1-5-15)8-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVQKPIIXPXIJGPU-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.31
Rot. Bonds4

About 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 102710800) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID102710800
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc3c(c2)CC(=O)N3)CCC1
InChIInChI=1S/C15H16N2O4/c18-12-7-10-6-9(2-3-11(10)16-12)14(21)17-15(4-1-5-15)8-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVQKPIIXPXIJGPU-UHFFFAOYSA-N
XLogP1.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]cyclobutyl]acetic acid
CID 102710799
N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115271278
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid (CID 102710800) is 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc3c(c2)CC(=O)N3)CCC1.
What is the InChIKey of 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is VQKPIIXPXIJGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-7-10-6-9(2-3-11(10)16-12)14(21)17-15(4-1-5-15)8-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 102710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).