2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid

C14H16N2O3 — CID 110835933

IUPAC2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1ccc2c(C(=O)N(C)CC(=O)O)c(C)[nH]c2c1
InChIInChI=1S/C14H16N2O3/c1-8-4-5-10-11(6-8)15-9(2)13(10)14(19)16(3)7-12(17)18/h4-6,15H,7H2,1-3H3,(H,17,18)
InChIKeyPYHUXPIUSVRMOO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.94
Rot. Bonds3

About 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid

2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid (PubChem CID 110835933) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
PubChem CID110835933
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
SMILESCc1ccc2c(C(=O)N(C)CC(=O)O)c(C)[nH]c2c1
InChIInChI=1S/C14H16N2O3/c1-8-4-5-10-11(6-8)15-9(2)13(10)14(19)16(3)7-12(17)18/h4-6,15H,7H2,1-3H3,(H,17,18)
InChIKeyPYHUXPIUSVRMOO-UHFFFAOYSA-N
XLogP1.94
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835901
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 3539182
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
CID 115691704

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid (CID 110835933) is 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid is Cc1ccc2c(C(=O)N(C)CC(=O)O)c(C)[nH]c2c1.
What is the InChIKey of 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is PYHUXPIUSVRMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-5-10-11(6-8)15-9(2)13(10)14(19)16(3)7-12(17)18/h4-6,15H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid?
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).