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

C15H19N3O3 — CID 107424007

IUPAC2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O3/c1-17(2)7-8-18(10-14(19)20)15(21)13-9-11-5-3-4-6-12(11)16-13/h3-6,9,16H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyXVUYIGLJVGBTDN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.26
Rot. Bonds6

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

2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 107424007) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
PubChem CID107424007
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H19N3O3/c1-17(2)7-8-18(10-14(19)20)15(21)13-9-11-5-3-4-6-12(11)16-13/h3-6,9,16H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyXVUYIGLJVGBTDN-UHFFFAOYSA-N
XLogP1.26
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1H-indole-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262806
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid
CID 119205230
2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 119205851
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 90606973
N-ethyl-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 51190000
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-(2,2-difluoroethyl)-N-methyl-1H-indole-2-carboxamide
CID 115611586
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
CID 63118057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid (CID 107424007) is 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is XVUYIGLJVGBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(2)7-8-18(10-14(19)20)15(21)13-9-11-5-3-4-6-12(11)16-13/h3-6,9,16H,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107424007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).