4-[3-(ethylamino)-3-oxopropoxy]benzoic acid

C12H15NO4 — CID 62325269

IUPAC4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
SMILESCCNC(=O)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-13-11(14)7-8-17-10-5-3-9(4-6-10)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyMSLIPXUTLWQODJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds6

About 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid

4-[3-(ethylamino)-3-oxopropoxy]benzoic acid (PubChem CID 62325269) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
PubChem CID62325269
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
SMILESCCNC(=O)CCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-2-13-11(14)7-8-17-10-5-3-9(4-6-10)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyMSLIPXUTLWQODJ-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
CID 23136072
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
4-[3-[2-[2-fluoroethyl(methyl)amino]ethylamino]-3-oxopropoxy]benzoic acid
CID 142320007
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
4-[3-(ethylamino)-3-oxopropoxy]-3-(trifluoromethyl)benzoic acid
CID 63320573
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
4-[12-oxo-12-(2-oxoethylamino)dodecoxy]benzoic acid
CID 123519248

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid?
The IUPAC name of 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid (CID 62325269) is 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid.
What is the SMILES notation for 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid?
The canonical SMILES for 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid is CCNC(=O)CCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid?
The InChIKey is MSLIPXUTLWQODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-13-11(14)7-8-17-10-5-3-9(4-6-10)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid?
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)-3-oxopropoxy]benzoic acid is sourced from PubChem (CID 62325269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).