5-butyl-2-(ethoxycarbonylamino)benzoic acid

C14H19NO4 — CID 19845690

IUPAC5-butyl-2-(ethoxycarbonylamino)benzoic acid
SMILESCCCCc1ccc(NC(=O)OCC)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(11(9-10)13(16)17)15-14(18)19-4-2/h7-9H,3-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXGFXSRWOVLDEFN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds6

About 5-butyl-2-(ethoxycarbonylamino)benzoic acid

5-butyl-2-(ethoxycarbonylamino)benzoic acid (PubChem CID 19845690) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-butyl-2-(ethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-butyl-2-(ethoxycarbonylamino)benzoic acid
PubChem CID19845690
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-butyl-2-(ethoxycarbonylamino)benzoic acid
SMILESCCCCc1ccc(NC(=O)OCC)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(11(9-10)13(16)17)15-14(18)19-4-2/h7-9H,3-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXGFXSRWOVLDEFN-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propoxycarbonylamino)-5-propylbenzoic acid
CID 19845672
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
5-hexyl-2-(methylamino)benzoic acid
CID 142177835
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
ethyl 2,5-dibutylbenzoate
CID 166059942
2-[(4-butylphenyl)methoxycarbonylamino]-5-decylthiophene-3-carboxylic acid
CID 22053922
4-butyl-2-hydroxybenzoic acid
CID 14895249
5-ethyl-2-(1-phenylbutoxycarbonylamino)benzoic acid
CID 70378028
ethyl N-[4-(3-bromopropyl)-2-(4-chlorophenyl)phenyl]carbamate
CID 90741039
ethyl 2-(5-butyl-2-hydroxyanilino)-2-oxoacetate
CID 12803550
ethyl N-[N-(2-acetamido-5-butylphenyl)-C-methylsulfanylcarbonimidoyl]carbamate
CID 135748566

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(ethoxycarbonylamino)benzoic acid?
The IUPAC name of 5-butyl-2-(ethoxycarbonylamino)benzoic acid (CID 19845690) is 5-butyl-2-(ethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 5-butyl-2-(ethoxycarbonylamino)benzoic acid?
The canonical SMILES for 5-butyl-2-(ethoxycarbonylamino)benzoic acid is CCCCc1ccc(NC(=O)OCC)c(C(=O)O)c1.
What is the InChIKey of 5-butyl-2-(ethoxycarbonylamino)benzoic acid?
The InChIKey is XGFXSRWOVLDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-6-10-7-8-12(11(9-10)13(16)17)15-14(18)19-4-2/h7-9H,3-6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-butyl-2-(ethoxycarbonylamino)benzoic acid?
5-butyl-2-(ethoxycarbonylamino)benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(ethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 19845690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).