2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid

C19H19NO6 — CID 23390564

IUPAC2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
SMILESCCN(CCC(=O)O)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C19H19NO6/c1-2-20(10-9-17(22)23)12-7-8-15(16(21)11-12)18(24)13-5-3-4-6-14(13)19(25)26/h3-8,11,21H,2,9-10H2,1H3,(H,22,23)(H,25,26)
InChIKeyBRJXLAXWEYAPCN-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.62
Rot. Bonds8

About 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid

2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid (PubChem CID 23390564) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
PubChem CID23390564
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
SMILESCCN(CCC(=O)O)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C19H19NO6/c1-2-20(10-9-17(22)23)12-7-8-15(16(21)11-12)18(24)13-5-3-4-6-14(13)19(25)26/h3-8,11,21H,2,9-10H2,1H3,(H,22,23)(H,25,26)
InChIKeyBRJXLAXWEYAPCN-UHFFFAOYSA-N
XLogP2.62
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
CID 71476305
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 59713083
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
2-[2-[4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]piperazine-1-carbonyl]phenyl]-1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
CID 123158886
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid?
The IUPAC name of 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid (CID 23390564) is 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid.
What is the SMILES notation for 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid?
The canonical SMILES for 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid is CCN(CCC(=O)O)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1.
What is the InChIKey of 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid?
The InChIKey is BRJXLAXWEYAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-2-20(10-9-17(22)23)12-7-8-15(16(21)11-12)18(24)13-5-3-4-6-14(13)19(25)26/h3-8,11,21H,2,9-10H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid?
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid has a molecular weight of 357.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid is sourced from PubChem (CID 23390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).