5-ethyl-2-(3-methoxypropanoylamino)benzoic acid

C13H17NO4 — CID 110480431

IUPAC5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
SMILESCCc1ccc(NC(=O)CCOC)c(C(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-3-9-4-5-11(10(8-9)13(16)17)14-12(15)6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFMDNIHFVHHDKKE-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.92
Rot. Bonds6

About 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid

5-ethyl-2-(3-methoxypropanoylamino)benzoic acid (PubChem CID 110480431) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
PubChem CID110480431
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
SMILESCCc1ccc(NC(=O)CCOC)c(C(=O)O)c1
InChIInChI=1S/C13H17NO4/c1-3-9-4-5-11(10(8-9)13(16)17)14-12(15)6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFMDNIHFVHHDKKE-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
5-bromo-3-(3-methoxypropanoylamino)-2-methylbenzoic acid
CID 126833558
5-ethyl-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 110461098
N-(2-amino-4-hydroxyphenyl)-3-methoxypropanamide
CID 107697634
5-ethyl-2-(1,3-thiazole-4-carbonylamino)benzoic acid
CID 110462206
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
methyl 3-amino-4-(3-methoxypropanoylamino)benzoate
CID 110480525
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid?
The IUPAC name of 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid (CID 110480431) is 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid.
What is the SMILES notation for 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid?
The canonical SMILES for 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid is CCc1ccc(NC(=O)CCOC)c(C(=O)O)c1.
What is the InChIKey of 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid?
The InChIKey is FMDNIHFVHHDKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-9-4-5-11(10(8-9)13(16)17)14-12(15)6-7-18-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid?
5-ethyl-2-(3-methoxypropanoylamino)benzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methoxypropanoylamino)benzoic acid is sourced from PubChem (CID 110480431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).