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

C15H18N2O4 — CID 102710709

IUPAC3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c1-3-17(8-9(2)15(20)21)14(19)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyRGJSGQTUTLVFMX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.36
Rot. Bonds5

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

3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 102710709) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID102710709
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H18N2O4/c1-3-17(8-9(2)15(20)21)14(19)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyRGJSGQTUTLVFMX-UHFFFAOYSA-N
XLogP1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.36
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
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712066
N-(2-amino-2-oxoethyl)-N-ethyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 103103778
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid (CID 102710709) is 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is RGJSGQTUTLVFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-17(8-9(2)15(20)21)14(19)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9H,3,7-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 102710709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).