2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid

C14H16N2O3 — CID 119205851

IUPAC2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-16(8-13(17)18)14(19)12-7-10-5-4-9(2)6-11(10)15-12/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyQZMODQDTPUXHRF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds4

About 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid

2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 119205851) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID119205851
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-16(8-13(17)18)14(19)12-7-10-5-4-9(2)6-11(10)15-12/h4-7,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyQZMODQDTPUXHRF-UHFFFAOYSA-N
XLogP2.02
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 39949319
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
CID 146125832
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
3-[(6-bromo-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191208
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
3-[benzyl-(6-methyl-1H-indole-2-carbonyl)amino]-2-methylpropanoic acid
CID 122146155
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
2-[methyl-(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835819
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-6-methyl-1H-indole-2-carboxamide
CID 110000446
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid (CID 119205851) is 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is QZMODQDTPUXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16(8-13(17)18)14(19)12-7-10-5-4-9(2)6-11(10)15-12/h4-7,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid?
2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119205851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).