4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid

C13H19N3O4 — CID 62635322

IUPAC4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-9-4-5-10(12(18)19)11(17)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyLSRMIEANRCOIDG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.16
Rot. Bonds6

About 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid

4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid (PubChem CID 62635322) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
PubChem CID62635322
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-9-4-5-10(12(18)19)11(17)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyLSRMIEANRCOIDG-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

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Related Compounds

2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 55097595
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 62636191
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 63022456
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
4-[2-(dimethylamino)ethylcarbamoylamino]-2-fluorobenzoic acid
CID 107795716
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,4-difluorobenzoic acid
CID 62635151
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid (CID 62635322) is 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid is CCN(C)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid?
The InChIKey is LSRMIEANRCOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-16(2)7-6-14-13(20)15-9-4-5-10(12(18)19)11(17)8-9/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid?
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-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 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 62635322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).