5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid

C14H19NO3 — CID 82347772

IUPAC5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
SMILESCCc1ccc(C(=O)C(CCC(=O)O)NC)cc1
InChIInChI=1S/C14H19NO3/c1-3-10-4-6-11(7-5-10)14(18)12(15-2)8-9-13(16)17/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyULLQSOPCULKCTI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds7

About 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid

5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid (PubChem CID 82347772) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
PubChem CID82347772
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
SMILESCCc1ccc(C(=O)C(CCC(=O)O)NC)cc1
InChIInChI=1S/C14H19NO3/c1-3-10-4-6-11(7-5-10)14(18)12(15-2)8-9-13(16)17/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyULLQSOPCULKCTI-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-butan-2-ylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349312
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
5-(3,4-dichlorophenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349254
(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
CID 59696983
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 112512195
3-(butan-2-ylamino)-4-(4-ethylphenyl)-4-oxobutanoic acid
CID 82322343
4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 82347835
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
5-(4-methylphenyl)-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 82347542
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
CID 82348457
5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
CID 82349311

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid (CID 82347772) is 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid is CCc1ccc(C(=O)C(CCC(=O)O)NC)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid?
The InChIKey is ULLQSOPCULKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-10-4-6-11(7-5-10)14(18)12(15-2)8-9-13(16)17/h4-7,12,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid?
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 82347772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).