2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid

C14H16N2O4 — CID 102710704

IUPAC2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)C2)C(C)(C)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-14(2,13(19)20)16(3)12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyKSLWGRBLGCVYOF-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid (PubChem CID 102710704) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
PubChem CID102710704
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)C2)C(C)(C)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-14(2,13(19)20)16(3)12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyKSLWGRBLGCVYOF-UHFFFAOYSA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
N-cyclopentyl-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712002
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
N-(2-amino-2-oxoethyl)-N-ethyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 103103778
N-methyl-2-oxo-N-pyridin-4-yl-1,3-dihydroindole-6-carboxamide
CID 106936749
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712770
2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid (CID 102710704) is 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid is CN(C(=O)c1ccc2c(c1)NC(=O)C2)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid?
The InChIKey is KSLWGRBLGCVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(2,13(19)20)16(3)12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,7H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).