2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid

C13H19N3O4 — CID 62636191

IUPAC2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-11-5-4-9(17)8-10(11)12(18)19/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyGURJFUAPPPSDAH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid

2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid (PubChem CID 62636191) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
PubChem CID62636191
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-11-5-4-9(17)8-10(11)12(18)19/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyGURJFUAPPPSDAH-UHFFFAOYSA-N
XLogP1.16
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 61405753
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-3-methylbenzoic acid
CID 62634462
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,4-difluorobenzoic acid
CID 62635151
5-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61406140
2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630
2-[(4-amino-4-oxobutyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61406098
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 63022456
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 55097595
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
2-[3-(dimethylamino)propylcarbamoylamino]-5-methylbenzoic acid
CID 61189901

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid (CID 62636191) is 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid is CCN(C)CCNC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid?
The InChIKey is GURJFUAPPPSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-11-5-4-9(17)8-10(11)12(18)19/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid?
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid is sourced from PubChem (CID 62636191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).