2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid

C15H18N2O4 — CID 102710703

IUPAC2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc2c(c1)CC(=O)N2)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-4-17(15(2,3)14(20)21)13(19)9-5-6-11-10(7-9)8-12(18)16-11/h5-7H,4,8H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyLABVFPWTBTVVRF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.51
Rot. Bonds4

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

2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 102710703) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID102710703
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccc2c(c1)CC(=O)N2)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-4-17(15(2,3)14(20)21)13(19)9-5-6-11-10(7-9)8-12(18)16-11/h5-7H,4,8H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyLABVFPWTBTVVRF-UHFFFAOYSA-N
XLogP1.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103190481
3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710709
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
CID 102710704
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710774
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710636
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920254
5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79985362
N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-cyclopentyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712103

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid (CID 102710703) is 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1ccc2c(c1)CC(=O)N2)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is LABVFPWTBTVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-17(15(2,3)14(20)21)13(19)9-5-6-11-10(7-9)8-12(18)16-11/h5-7H,4,8H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 102710703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).