2-(ethylamino)benzene-1,3-dicarboxylic acid

C10H11NO4 — CID 141058126

IUPAC2-(ethylamino)benzene-1,3-dicarboxylic acid
SMILESCCNc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-11-8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyBUQZNJHSZXGBOH-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.51
Rot. Bonds4

About 2-(ethylamino)benzene-1,3-dicarboxylic acid

2-(ethylamino)benzene-1,3-dicarboxylic acid (PubChem CID 141058126) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(ethylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)benzene-1,3-dicarboxylic acid
PubChem CID141058126
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(ethylamino)benzene-1,3-dicarboxylic acid
SMILESCCNc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-2-11-8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyBUQZNJHSZXGBOH-UHFFFAOYSA-N
XLogP1.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-2-(ethylamino)benzoic acid
CID 66674956
2-(ethylamino)-3-[(2-ethyl-6-methylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955407
3-(formylcarbamoyl)-2-(propylamino)benzoic acid
CID 142955384
2-(ethylamino)-3-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoylcarbamoyl]benzoic acid
CID 142955429
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
2-(ethylamino)-N-methyl-3-phenylbenzamide
CID 68748866
3-methoxycarbonyl-2-(methylsulfonylmethylamino)benzoic acid
CID 66611359
4-(aminomethyl)-N-ethylaniline;2-methylbenzene-1,3-dicarboxylic acid
CID 175316241
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
2-(ethylsulfamoyl)benzoic acid
CID 18725198

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(ethylamino)benzene-1,3-dicarboxylic acid (CID 141058126) is 2-(ethylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(ethylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(ethylamino)benzene-1,3-dicarboxylic acid is CCNc1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of 2-(ethylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is BUQZNJHSZXGBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-11-8-6(9(12)13)4-3-5-7(8)10(14)15/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(ethylamino)benzene-1,3-dicarboxylic acid?
2-(ethylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 141058126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).