2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid

C12H18N2O3 — CID 81061457

IUPAC2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
SMILESCCOCCN(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-4-5-11(13)10(8-9)12(15)16/h4-5,8H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyRWUGMMKUNUUYFJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid

2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid (PubChem CID 81061457) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
PubChem CID81061457
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
SMILESCCOCCN(C)c1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-4-5-11(13)10(8-9)12(15)16/h4-5,8H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyRWUGMMKUNUUYFJ-UHFFFAOYSA-N
XLogP1.44
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
ethyl 2-amino-5-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 79865154
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81055009
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 113419723
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid?
The IUPAC name of 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid (CID 81061457) is 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid is CCOCCN(C)c1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid?
The InChIKey is RWUGMMKUNUUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-7-6-14(2)9-4-5-11(13)10(8-9)12(15)16/h4-5,8H,3,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid?
2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid is sourced from PubChem (CID 81061457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).