3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid

C14H18N2O3 — CID 117042344

IUPAC3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
SMILESCN(c1ccc2c(c1)CC(=O)N2)C(C)(C)CC(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(2,8-13(18)19)16(3)10-4-5-11-9(6-10)7-12(17)15-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyPRCVQUIQGUJLDE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds4

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

3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid (PubChem CID 117042344) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
PubChem CID117042344
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
SMILESCN(c1ccc2c(c1)CC(=O)N2)C(C)(C)CC(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(2,8-13(18)19)16(3)10-4-5-11-9(6-10)7-12(17)15-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyPRCVQUIQGUJLDE-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
CID 115171999
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103190481
N-benzyl-2-oxo-N-phenyl-1,3-dihydroindole-5-carboxamide
CID 110862596
N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 115159432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid (CID 117042344) is 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid is CN(c1ccc2c(c1)CC(=O)N2)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid?
The InChIKey is PRCVQUIQGUJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,8-13(18)19)16(3)10-4-5-11-9(6-10)7-12(17)15-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid?
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid is sourced from PubChem (CID 117042344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).