2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

C14H18N2O4 — CID 119206034

IUPAC2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C14H18N2O4/c1-3-16(7-11(18)19)14(20)13-8(2)12-9(15-13)5-4-6-10(12)17/h15H,3-7H2,1-2H3,(H,18,19)
InChIKeyTUFZBBFLDBKQQW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.39
Rot. Bonds4

About 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (PubChem CID 119206034) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
PubChem CID119206034
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C14H18N2O4/c1-3-16(7-11(18)19)14(20)13-8(2)12-9(15-13)5-4-6-10(12)17/h15H,3-7H2,1-2H3,(H,18,19)
InChIKeyTUFZBBFLDBKQQW-UHFFFAOYSA-N
XLogP1.39
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119189193
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 119032374
2-[ethyl-(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]acetic acid
CID 119206567
methyl (2S)-2-methyl-3-[methyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 94824119
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 49386125
N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55955402
3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 120827064
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47006858
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 38710456
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31793322

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (CID 119206034) is 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The InChIKey is TUFZBBFLDBKQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-16(7-11(18)19)14(20)13-8(2)12-9(15-13)5-4-6-10(12)17/h15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119206034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).