2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid

C13H14N2O4 — CID 115163929

IUPAC2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
SMILESCC(C)(C(=O)O)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-13(2,12(18)19)11(17)14-8-3-4-9-7(5-8)6-10(16)15-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeySTLOWCAXNONERI-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.23
Rot. Bonds3

About 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid

2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid (PubChem CID 115163929) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
PubChem CID115163929
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
SMILESCC(C)(C(=O)O)C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-13(2,12(18)19)11(17)14-8-3-4-9-7(5-8)6-10(16)15-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeySTLOWCAXNONERI-UHFFFAOYSA-N
XLogP1.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
3-cyclopentyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 18570800
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid (CID 115163929) is 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid is CC(C)(C(=O)O)C(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid?
The InChIKey is STLOWCAXNONERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-13(2,12(18)19)11(17)14-8-3-4-9-7(5-8)6-10(16)15-9/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid?
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid is sourced from PubChem (CID 115163929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).