2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid

C14H20N2O5 — CID 107424156

IUPAC2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
SMILESCOc1ccc(O)c(C(=O)N(CCN(C)C)CC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-15(2)6-7-16(9-13(18)19)14(20)11-8-10(21-3)4-5-12(11)17/h4-5,8,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyWPXWIGMFLHINEG-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.49
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid (PubChem CID 107424156) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
PubChem CID107424156
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
SMILESCOc1ccc(O)c(C(=O)N(CCN(C)C)CC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-15(2)6-7-16(9-13(18)19)14(20)11-8-10(21-3)4-5-12(11)17/h4-5,8,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyWPXWIGMFLHINEG-UHFFFAOYSA-N
XLogP0.49
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
CID 78971160
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
2-[2-(dimethylamino)ethyl-(3-methoxythiophene-2-carbonyl)amino]acetic acid
CID 113264821
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid (CID 107424156) is 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid is COc1ccc(O)c(C(=O)N(CCN(C)C)CC(=O)O)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid?
The InChIKey is WPXWIGMFLHINEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-15(2)6-7-16(9-13(18)19)14(20)11-8-10(21-3)4-5-12(11)17/h4-5,8,17H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107424156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).